id	sid	tid	token	lemma	pos
bibechana-46838	1	1	bibechana	bibechana	PROPN
bibechana-46838	1	2	19	19	NUM
bibechana-46838	1	3	(	(	PUNCT
bibechana-46838	1	4	1	1	NUM
bibechana-46838	1	5	-	-	SYM
bibechana-46838	1	6	2	2	NUM
bibechana-46838	1	7	)	)	PUNCT
bibechana-46838	1	8	(	(	PUNCT
bibechana-46838	1	9	2022	2022	NUM
bibechana-46838	1	10	)	)	PUNCT
bibechana-46838	1	11	208	208	NUM
bibechana-46838	1	12	-	-	SYM
bibechana-46838	1	13	213	213	NUM
bibechana-46838	1	14	208	208	NUM
bibechana-46838	1	15	study	study	NOUN
bibechana-46838	1	16	on	on	ADP
bibechana-46838	1	17	electronic	electronic	ADJ
bibechana-46838	1	18	properties	property	NOUN
bibechana-46838	1	19	of	of	ADP
bibechana-46838	1	20	-uranium	-uranium	PROPN
bibechana-46838	1	21	using	use	VERB
bibechana-46838	1	22	ab	ab	NOUN
bibechana-46838	1	23	-	-	PUNCT
bibechana-46838	1	24	initio	initio	NOUN
bibechana-46838	1	25	approach	approach	NOUN
bibechana-46838	1	26	aditya	aditya	PROPN
bibechana-46838	1	27	m.	m.	PROPN
bibechana-46838	1	28	vora*1	vora*1	PROPN
bibechana-46838	1	29	1	1	NUM
bibechana-46838	1	30	department	department	PROPN
bibechana-46838	1	31	of	of	ADP
bibechana-46838	1	32	physics	physics	PROPN
bibechana-46838	1	33	,	,	PUNCT
bibechana-46838	1	34	university	university	NOUN
bibechana-46838	1	35	school	school	NOUN
bibechana-46838	1	36	of	of	ADP
bibechana-46838	1	37	sciences	sciences	PROPN
bibechana-46838	1	38	,	,	PUNCT
bibechana-46838	1	39	gujarat	gujarat	PROPN
bibechana-46838	1	40	university	university	PROPN
bibechana-46838	1	41	,	,	PUNCT
bibechana-46838	1	42	ahmedabad	ahmedabad	PROPN
bibechana-46838	1	43	380	380	NUM
bibechana-46838	1	44	009	009	NUM
bibechana-46838	1	45	,	,	PUNCT
bibechana-46838	1	46	gujarat	gujarat	NOUN
bibechana-46838	1	47	,	,	PUNCT
bibechana-46838	1	48	india	india	PROPN
bibechana-46838	1	49	email	email	NOUN
bibechana-46838	1	50	:	:	PUNCT
bibechana-46838	2	1	voraam@gmail.com	voraam@gmail.com	PROPN
bibechana-46838	2	2	article	article	PROPN
bibechana-46838	2	3	information	information	NOUN
bibechana-46838	2	4	:	:	PUNCT
bibechana-46838	2	5	received	receive	VERB
bibechana-46838	2	6	:	:	PUNCT
bibechana-46838	2	7	june	june	PROPN
bibechana-46838	2	8	7	7	NUM
bibechana-46838	2	9	,	,	PUNCT
bibechana-46838	2	10	2022	2022	NUM
bibechana-46838	2	11	accepted	accept	VERB
bibechana-46838	2	12	:	:	PUNCT
bibechana-46838	2	13	july	july	PROPN
bibechana-46838	2	14	20	20	NUM
bibechana-46838	2	15	,	,	PUNCT
bibechana-46838	2	16	2022	2022	NUM
bibechana-46838	2	17	keywords	keyword	NOUN
bibechana-46838	2	18	:	:	PUNCT
bibechana-46838	2	19	dft	dft	PROPN
bibechana-46838	2	20	electronic	electronic	ADJ
bibechana-46838	2	21	properties	property	NOUN
bibechana-46838	2	22	gga	gga	PROPN
bibechana-46838	2	23	paw	paw	PROPN
bibechana-46838	2	24	pseudopotential	pseudopotential	PROPN
bibechana-46838	2	25	abstract	abstract	NOUN
bibechana-46838	2	26	in	in	ADP
bibechana-46838	2	27	the	the	DET
bibechana-46838	2	28	present	present	ADJ
bibechana-46838	2	29	work	work	NOUN
bibechana-46838	2	30	,	,	PUNCT
bibechana-46838	2	31	a	a	DET
bibechana-46838	2	32	density	density	NOUN
bibechana-46838	2	33	functional	functional	ADJ
bibechana-46838	2	34	theory	theory	NOUN
bibechana-46838	2	35	(	(	PUNCT
bibechana-46838	2	36	dft	dft	NOUN
bibechana-46838	2	37	)	)	PUNCT
bibechana-46838	2	38	based	base	VERB
bibechana-46838	2	39	simulation	simulation	NOUN
bibechana-46838	2	40	is	be	AUX
bibechana-46838	2	41	performed	perform	VERB
bibechana-46838	2	42	to	to	PART
bibechana-46838	2	43	study	study	VERB
bibechana-46838	2	44	the	the	DET
bibechana-46838	2	45	electronic	electronic	ADJ
bibechana-46838	2	46	properties	property	NOUN
bibechana-46838	2	47	of	of	ADP
bibechana-46838	2	48	(	(	PUNCT
bibechana-46838	2	49	uranium	uranium	NOUN
bibechana-46838	2	50	through	through	ADP
bibechana-46838	2	51	the	the	DET
bibechana-46838	2	52	electronic	electronic	ADJ
bibechana-46838	2	53	band	band	NOUN
bibechana-46838	2	54	structure	structure	NOUN
bibechana-46838	2	55	,	,	PUNCT
bibechana-46838	2	56	total	total	ADJ
bibechana-46838	2	57	electron	electron	NOUN
bibechana-46838	2	58	density	density	NOUN
bibechana-46838	2	59	of	of	ADP
bibechana-46838	2	60	states	state	NOUN
bibechana-46838	2	61	(	(	PUNCT
bibechana-46838	2	62	dos	dos	PROPN
bibechana-46838	2	63	)	)	PUNCT
bibechana-46838	2	64	,	,	PUNCT
bibechana-46838	2	65	integrated	integrate	VERB
bibechana-46838	2	66	density	density	NOUN
bibechana-46838	2	67	of	of	ADP
bibechana-46838	2	68	states	state	NOUN
bibechana-46838	2	69	(	(	PUNCT
bibechana-46838	2	70	idos	ido	NOUN
bibechana-46838	2	71	)	)	PUNCT
bibechana-46838	2	72	,	,	PUNCT
bibechana-46838	2	73	partial	partial	ADJ
bibechana-46838	2	74	density	density	NOUN
bibechana-46838	2	75	of	of	ADP
bibechana-46838	2	76	states	state	NOUN
bibechana-46838	2	77	(	(	PUNCT
bibechana-46838	2	78	pdos	pdo	NOUN
bibechana-46838	2	79	)	)	PUNCT
bibechana-46838	2	80	and	and	CCONJ
bibechana-46838	2	81	fermi	fermi	PROPN
bibechana-46838	2	82	-surface	-surface	NOUN
bibechana-46838	2	83	measurements	measurement	NOUN
bibechana-46838	2	84	.	.	PUNCT
bibechana-46838	3	1	a	a	DET
bibechana-46838	3	2	generalized	generalize	VERB
bibechana-46838	3	3	gradient	gradient	NOUN
bibechana-46838	3	4	approximation	approximation	NOUN
bibechana-46838	3	5	(	(	PUNCT
bibechana-46838	3	6	gga	gga	PROPN
bibechana-46838	3	7	)	)	PUNCT
bibechana-46838	3	8	with	with	ADP
bibechana-46838	3	9	projector	projector	NOUN
bibechana-46838	3	10	-	-	PUNCT
bibechana-46838	3	11	augmented	augment	VERB
bibechana-46838	3	12	wave	wave	NOUN
bibechana-46838	3	13	(	(	PUNCT
bibechana-46838	3	14	paw	paw	NOUN
bibechana-46838	3	15	)	)	PUNCT
bibechana-46838	3	16	pseudopotential	pseudopotential	NOUN
bibechana-46838	3	17	is	be	AUX
bibechana-46838	3	18	used	use	VERB
bibechana-46838	3	19	in	in	ADP
bibechana-46838	3	20	present	present	ADJ
bibechana-46838	3	21	computation	computation	NOUN
bibechana-46838	3	22	.	.	PUNCT
bibechana-46838	4	1	the	the	DET
bibechana-46838	4	2	hybridization	hybridization	NOUN
bibechana-46838	4	3	between	between	ADP
bibechana-46838	4	4	the	the	DET
bibechana-46838	4	5	5𝑓	5𝑓	NUM
bibechana-46838	4	6	orbital	orbital	NOUN
bibechana-46838	4	7	and	and	CCONJ
bibechana-46838	4	8	6𝑑	6𝑑	NOUN
bibechana-46838	4	9	orbital	orbital	NOUN
bibechana-46838	4	10	also	also	ADV
bibechana-46838	4	11	has	have	VERB
bibechana-46838	4	12	fairly	fairly	ADV
bibechana-46838	4	13	influences	influence	NOUN
bibechana-46838	4	14	on	on	ADP
bibechana-46838	4	15	the	the	DET
bibechana-46838	4	16	electronic	electronic	ADJ
bibechana-46838	4	17	properties	property	NOUN
bibechana-46838	4	18	of	of	ADP
bibechana-46838	4	19	-uranium	-uranium	PROPN
bibechana-46838	4	20	.	.	PUNCT
bibechana-46838	5	1	doi	doi	PROPN
bibechana-46838	5	2	:	:	PUNCT
bibechana-46838	5	3	https://doi.org/10.3126/bibechana.v19i1-2.46838	https://doi.org/10.3126/bibechana.v19i1-2.46838	VERB
bibechana-46838	5	4	this	this	DET
bibechana-46838	5	5	work	work	NOUN
bibechana-46838	5	6	is	be	AUX
bibechana-46838	5	7	licensed	license	VERB
bibechana-46838	5	8	under	under	ADP
bibechana-46838	5	9	the	the	DET
bibechana-46838	5	10	creative	creative	ADJ
bibechana-46838	5	11	commons	common	NOUN
bibechana-46838	5	12	cc	cc	ADP
bibechana-46838	5	13	by	by	ADP
bibechana-46838	5	14	-	-	PUNCT
bibechana-46838	5	15	nc	nc	NOUN
bibechana-46838	5	16	license	license	NOUN
bibechana-46838	5	17	.	.	PUNCT
bibechana-46838	6	1	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	DET
bibechana-46838	6	2	1	1	NUM
bibechana-46838	6	3	.	.	PUNCT
bibechana-46838	6	4	introduction	introduction	NOUN
bibechana-46838	6	5	uranium	uranium	NOUN
bibechana-46838	6	6	is	be	AUX
bibechana-46838	6	7	a	a	DET
bibechana-46838	6	8	typical	typical	ADJ
bibechana-46838	6	9	member	member	NOUN
bibechana-46838	6	10	of	of	ADP
bibechana-46838	6	11	the	the	DET
bibechana-46838	6	12	early	early	ADJ
bibechana-46838	6	13	actinide	actinide	ADJ
bibechana-46838	6	14	metallic	metallic	ADJ
bibechana-46838	6	15	elements	element	NOUN
bibechana-46838	6	16	due	due	ADP
bibechana-46838	6	17	to	to	ADP
bibechana-46838	6	18	its	its	PRON
bibechana-46838	6	19	very	very	ADV
bibechana-46838	6	20	wide	wide	ADJ
bibechana-46838	6	21	range	range	NOUN
bibechana-46838	6	22	of	of	ADP
bibechana-46838	6	23	applications	application	NOUN
bibechana-46838	6	24	in	in	ADP
bibechana-46838	6	25	the	the	DET
bibechana-46838	6	26	aerospace	aerospace	NOUN
bibechana-46838	6	27	,	,	PUNCT
bibechana-46838	6	28	military	military	ADJ
bibechana-46838	6	29	weapons	weapon	NOUN
bibechana-46838	6	30	and	and	CCONJ
bibechana-46838	6	31	nuclear	nuclear	ADJ
bibechana-46838	6	32	industries	industry	NOUN
bibechana-46838	6	33	[	[	X
bibechana-46838	6	34	1	1	NUM
bibechana-46838	6	35	-	-	SYM
bibechana-46838	6	36	13	13	NUM
bibechana-46838	6	37	]	]	PUNCT
bibechana-46838	6	38	.	.	PUNCT
bibechana-46838	7	1	in	in	ADP
bibechana-46838	7	2	general	general	ADJ
bibechana-46838	7	3	,	,	PUNCT
bibechana-46838	7	4	the	the	DET
bibechana-46838	7	5	-uranium	-uranium	PROPN
bibechana-46838	7	6	occurs	occur	VERB
bibechana-46838	7	7	under	under	ADP
bibechana-46838	7	8	normal	normal	ADJ
bibechana-46838	7	9	pressure	pressure	NOUN
bibechana-46838	7	10	conditions	condition	NOUN
bibechana-46838	7	11	[	[	X
bibechana-46838	7	12	3	3	NUM
bibechana-46838	7	13	]	]	PUNCT
bibechana-46838	7	14	.	.	PUNCT
bibechana-46838	8	1	many	many	ADJ
bibechana-46838	8	2	of	of	ADP
bibechana-46838	8	3	the	the	DET
bibechana-46838	8	4	results	result	NOUN
bibechana-46838	8	5	related	relate	VERB
bibechana-46838	8	6	to	to	ADP
bibechana-46838	8	7	their	their	PRON
bibechana-46838	8	8	physical	physical	ADJ
bibechana-46838	8	9	properties	property	NOUN
bibechana-46838	8	10	have	have	AUX
bibechana-46838	8	11	been	be	AUX
bibechana-46838	8	12	reported	report	VERB
bibechana-46838	8	13	so	so	ADV
bibechana-46838	8	14	far	far	ADV
bibechana-46838	8	15	by	by	ADP
bibechana-46838	8	16	different	different	ADJ
bibechana-46838	8	17	researchers	researcher	NOUN
bibechana-46838	8	18	[	[	X
bibechana-46838	8	19	1	1	NUM
bibechana-46838	8	20	-	-	SYM
bibechana-46838	8	21	13	13	NUM
bibechana-46838	8	22	]	]	PUNCT
bibechana-46838	8	23	.	.	PUNCT
bibechana-46838	9	1	in	in	ADP
bibechana-46838	9	2	general	general	ADJ
bibechana-46838	9	3	,	,	PUNCT
bibechana-46838	9	4	5	5	NUM
bibechana-46838	9	5	-	-	PUNCT
bibechana-46838	9	6	electron	electron	NOUN
bibechana-46838	9	7	-	-	PUNCT
bibechana-46838	9	8	electron	electron	NOUN
bibechana-46838	9	9	correlations	correlation	NOUN
bibechana-46838	9	10	in	in	ADP
bibechana-46838	9	11	particular	particular	ADJ
bibechana-46838	9	12	play	play	VERB
bibechana-46838	9	13	a	a	DET
bibechana-46838	9	14	crucial	crucial	ADJ
bibechana-46838	9	15	role	role	NOUN
bibechana-46838	9	16	actinide	actinide	NOUN
bibechana-46838	9	17	series	series	NOUN
bibechana-46838	9	18	[	[	X
bibechana-46838	9	19	10	10	NUM
bibechana-46838	9	20	]	]	PUNCT
bibechana-46838	9	21	for	for	ADP
bibechana-46838	9	22	several	several	ADJ
bibechana-46838	9	23	years	year	NOUN
bibechana-46838	9	24	.	.	PUNCT
bibechana-46838	10	1	large	large	ADJ
bibechana-46838	10	2	volume	volume	NOUN
bibechana-46838	10	3	expansion	expansion	NOUN
bibechana-46838	10	4	upon	upon	SCONJ
bibechana-46838	10	5	phase	phase	NOUN
bibechana-46838	10	6	transformation	transformation	NOUN
bibechana-46838	10	7	is	be	AUX
bibechana-46838	10	8	observed	observe	VERB
bibechana-46838	10	9	[	[	X
bibechana-46838	10	10	10	10	NUM
bibechana-46838	10	11	]	]	PUNCT
bibechana-46838	10	12	.	.	PUNCT
bibechana-46838	11	1	therefore	therefore	ADV
bibechana-46838	11	2	,	,	PUNCT
bibechana-46838	11	3	theoretical	theoretical	ADJ
bibechana-46838	11	4	modulations	modulation	NOUN
bibechana-46838	11	5	act	act	VERB
bibechana-46838	11	6	an	an	DET
bibechana-46838	11	7	important	important	ADJ
bibechana-46838	11	8	role	role	NOUN
bibechana-46838	11	9	for	for	ADP
bibechana-46838	11	10	studying	study	VERB
bibechana-46838	11	11	the	the	DET
bibechana-46838	11	12	surface	surface	NOUN
bibechana-46838	11	13	properties	property	NOUN
bibechana-46838	11	14	of	of	ADP
bibechana-46838	11	15	the	the	DET
bibechana-46838	11	16	materials	material	NOUN
bibechana-46838	11	17	.	.	PUNCT
bibechana-46838	12	1	vohra	vohra	PROPN
bibechana-46838	12	2	and	and	CCONJ
bibechana-46838	12	3	spencer	spencer	PROPN
bibechana-46838	13	1	[	[	X
bibechana-46838	13	2	14	14	NUM
bibechana-46838	13	3	]	]	PUNCT
bibechana-46838	13	4	have	have	AUX
bibechana-46838	13	5	recently	recently	ADV
bibechana-46838	13	6	observed	observe	VERB
bibechana-46838	13	7	that	that	SCONJ
bibechana-46838	13	8	at	at	ADP
bibechana-46838	13	9	pressures	pressure	NOUN
bibechana-46838	13	10	above	above	ADP
bibechana-46838	13	11	116	116	NUM
bibechana-46838	13	12	gpa	gpa	PROPN
bibechana-46838	13	13	titanium	titanium	NOUN
bibechana-46838	13	14	converts	convert	NOUN
bibechana-46838	13	15	from	from	ADP
bibechana-46838	13	16	the	the	DET
bibechana-46838	13	17	hexagonal	hexagonal	ADJ
bibechana-46838	13	18	omega	omega	NOUN
bibechana-46838	13	19	(	(	PUNCT
bibechana-46838	13	20	c32	c32	NOUN
bibechana-46838	13	21	)	)	PUNCT
bibechana-46838	13	22	phase	phase	NOUN
bibechana-46838	13	23	to	to	PART
bibechana-46838	13	24	-phase	-phase	PROPN
bibechana-46838	13	25	.	.	PUNCT
bibechana-46838	14	1	bibechana	bibechana	PROPN
bibechana-46838	14	2	issn	issn	VERB
bibechana-46838	14	3	2091	2091	NUM
bibechana-46838	14	4	-	-	SYM
bibechana-46838	14	5	0762	0762	NUM
bibechana-46838	14	6	(	(	PUNCT
bibechana-46838	14	7	print	print	NOUN
bibechana-46838	14	8	)	)	PUNCT
bibechana-46838	14	9	,	,	PUNCT
bibechana-46838	14	10	2382	2382	NUM
bibechana-46838	14	11	-	-	SYM
bibechana-46838	14	12	5340	5340	NUM
bibechana-46838	14	13	(	(	PUNCT
bibechana-46838	14	14	online	online	ADJ
bibechana-46838	14	15	)	)	PUNCT
bibechana-46838	14	16	journal	journal	NOUN
bibechana-46838	14	17	homepage	homepage	NOUN
bibechana-46838	14	18	:	:	PUNCT
bibechana-46838	14	19	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-46838	14	20	publisher	publisher	NOUN
bibechana-46838	14	21	:	:	PUNCT
bibechana-46838	14	22	department	department	NOUN
bibechana-46838	14	23	of	of	ADP
bibechana-46838	14	24	physics	physics	PROPN
bibechana-46838	14	25	,	,	PUNCT
bibechana-46838	14	26	mahendra	mahendra	PROPN
bibechana-46838	14	27	morang	morang	PROPN
bibechana-46838	14	28	a.m.	a.m.	PROPN
bibechana-46838	15	1	campus	campus	PROPN
bibechana-46838	15	2	,	,	PUNCT
bibechana-46838	15	3	tu	tu	PROPN
bibechana-46838	15	4	,	,	PUNCT
bibechana-46838	15	5	biratnagar	biratnagar	NOUN
bibechana-46838	15	6	,	,	PUNCT
bibechana-46838	15	7	nepal	nepal	NOUN
bibechana-46838	15	8	https://doi.org/10.3126/bibechana.v19i1-2.46838	https://doi.org/10.3126/bibechana.v19i1-2.46838	VERB
bibechana-46838	15	9	https://creativecommons.org/licenses/by-nc/4.0/	https://creativecommons.org/licenses/by-nc/4.0/	PROPN
bibechana-46838	15	10	http://nepjol.info/index.php/bibechana	http://nepjol.info/index.php/bibechana	PROPN
bibechana-46838	15	11	aditya	aditya	PROPN
bibechana-46838	15	12	m.	m.	PROPN
bibechana-46838	15	13	vora	vora	PROPN
bibechana-46838	15	14	/	/	PUNCT
bibechana-46838	15	15	bibechana	bibechana	PROPN
bibechana-46838	15	16	19	19	NUM
bibechana-46838	15	17	(	(	PUNCT
bibechana-46838	15	18	1	1	NUM
bibechana-46838	15	19	-	-	SYM
bibechana-46838	15	20	2	2	NUM
bibechana-46838	15	21	)	)	PUNCT
bibechana-46838	15	22	(	(	PUNCT
bibechana-46838	15	23	2022	2022	NUM
bibechana-46838	15	24	)	)	PUNCT
bibechana-46838	15	25	208	208	NUM
bibechana-46838	15	26	-	-	SYM
bibechana-46838	15	27	213	213	NUM
bibechana-46838	15	28	209	209	NUM
bibechana-46838	15	29	while	while	NOUN
bibechana-46838	15	30	,	,	PUNCT
bibechana-46838	15	31	such	such	ADJ
bibechana-46838	15	32	structure	structure	NOUN
bibechana-46838	15	33	was	be	AUX
bibechana-46838	15	34	also	also	ADV
bibechana-46838	15	35	studied	study	VERB
bibechana-46838	15	36	by	by	ADP
bibechana-46838	15	37	wentzcovitch	wentzcovitch	NOUN
bibechana-46838	15	38	and	and	CCONJ
bibechana-46838	15	39	cohen	cohen	VERB
bibechana-46838	16	1	[	[	X
bibechana-46838	16	2	15	15	NUM
bibechana-46838	16	3	]	]	PUNCT
bibechana-46838	16	4	as	as	ADP
bibechana-46838	16	5	a	a	DET
bibechana-46838	16	6	probable	probable	ADJ
bibechana-46838	16	7	pathway	pathway	NOUN
bibechana-46838	16	8	for	for	ADP
bibechana-46838	16	9	the	the	DET
bibechana-46838	16	10	pressure	pressure	NOUN
bibechana-46838	16	11	-	-	PUNCT
bibechana-46838	16	12	induced	induce	VERB
bibechana-46838	16	13	conversion	conversion	NOUN
bibechana-46838	16	14	of	of	ADP
bibechana-46838	16	15	magnesium	magnesium	NOUN
bibechana-46838	16	16	from	from	ADP
bibechana-46838	16	17	the	the	DET
bibechana-46838	16	18	hcp	hcp	PROPN
bibechana-46838	16	19	(	(	PUNCT
bibechana-46838	16	20	a3	a3	PROPN
bibechana-46838	16	21	)	)	PUNCT
bibechana-46838	16	22	to	to	ADP
bibechana-46838	16	23	the	the	DET
bibechana-46838	16	24	bcc	bcc	PROPN
bibechana-46838	16	25	(	(	PUNCT
bibechana-46838	16	26	a2	a2	NOUN
bibechana-46838	16	27	)	)	PUNCT
bibechana-46838	16	28	phase	phase	NOUN
bibechana-46838	16	29	.	.	PUNCT
bibechana-46838	17	1	the	the	DET
bibechana-46838	17	2	α	α	NOUN
bibechana-46838	17	3	-	-	PUNCT
bibechana-46838	17	4	uranium	uranium	NOUN
bibechana-46838	17	5	crystal	crystal	NOUN
bibechana-46838	17	6	is	be	AUX
bibechana-46838	17	7	having	have	VERB
bibechana-46838	17	8	an	an	DET
bibechana-46838	17	9	orthorhombic	orthorhombic	ADJ
bibechana-46838	17	10	structure	structure	NOUN
bibechana-46838	17	11	at	at	ADP
bibechana-46838	17	12	lower	low	ADJ
bibechana-46838	17	13	940k	940k	NUM
bibechana-46838	17	14	temperature	temperature	NOUN
bibechana-46838	17	15	and	and	CCONJ
bibechana-46838	17	16	above	above	ADP
bibechana-46838	17	17	it	it	PRON
bibechana-46838	17	18	,	,	PUNCT
bibechana-46838	17	19	such	such	ADJ
bibechana-46838	17	20	phase	phase	NOUN
bibechana-46838	17	21	converts	convert	NOUN
bibechana-46838	17	22	to	to	ADP
bibechana-46838	17	23	the	the	DET
bibechana-46838	17	24	β	β	NOUN
bibechana-46838	17	25	-	-	NOUN
bibechana-46838	17	26	phase	phase	NOUN
bibechana-46838	17	27	and	and	CCONJ
bibechana-46838	17	28	then	then	ADV
bibechana-46838	17	29	it	it	PRON
bibechana-46838	17	30	converts	convert	VERB
bibechana-46838	17	31	to	to	ADP
bibechana-46838	17	32	the	the	DET
bibechana-46838	17	33	γ	γ	NOUN
bibechana-46838	17	34	-	-	NOUN
bibechana-46838	17	35	phase	phase	NOUN
bibechana-46838	17	36	at	at	ADP
bibechana-46838	17	37	the	the	DET
bibechana-46838	17	38	temperature	temperature	NOUN
bibechana-46838	17	39	above	above	ADP
bibechana-46838	17	40	1050k	1050k	NUM
bibechana-46838	17	41	.	.	PUNCT
bibechana-46838	18	1	the	the	DET
bibechana-46838	18	2	α	α	NOUN
bibechana-46838	18	3	-	-	NOUN
bibechana-46838	18	4	uranium	uranium	NOUN
bibechana-46838	18	5	is	be	AUX
bibechana-46838	18	6	stated	state	VERB
bibechana-46838	18	7	to	to	PART
bibechana-46838	18	8	be	be	AUX
bibechana-46838	18	9	stable	stable	ADJ
bibechana-46838	18	10	up	up	ADP
bibechana-46838	18	11	to	to	ADP
bibechana-46838	18	12	70	70	NUM
bibechana-46838	18	13	gpa	gpa	NOUN
bibechana-46838	18	14	pressure	pressure	NOUN
bibechana-46838	18	15	and	and	CCONJ
bibechana-46838	18	16	at	at	ADP
bibechana-46838	18	17	lesser	less	ADJ
bibechana-46838	18	18	temperatures	temperature	NOUN
bibechana-46838	18	19	,	,	PUNCT
bibechana-46838	18	20	while	while	SCONJ
bibechana-46838	18	21	at	at	ADP
bibechana-46838	18	22	higher	high	ADJ
bibechana-46838	18	23	temperatures	temperature	NOUN
bibechana-46838	18	24	,	,	PUNCT
bibechana-46838	18	25	the	the	DET
bibechana-46838	18	26	γ	γ	NOUN
bibechana-46838	18	27	-	-	NOUN
bibechana-46838	18	28	uranium	uranium	NOUN
bibechana-46838	18	29	can	can	AUX
bibechana-46838	18	30	stabilize	stabilize	VERB
bibechana-46838	18	31	its	its	PRON
bibechana-46838	18	32	bcc	bcc	PROPN
bibechana-46838	18	33	structure	structure	NOUN
bibechana-46838	18	34	[	[	X
bibechana-46838	18	35	16	16	NUM
bibechana-46838	18	36	]	]	PUNCT
bibechana-46838	18	37	.	.	PUNCT
bibechana-46838	19	1	now	now	ADV
bibechana-46838	19	2	a	a	DET
bibechana-46838	19	3	days	day	NOUN
bibechana-46838	19	4	,	,	PUNCT
bibechana-46838	19	5	uranium	uranium	NOUN
bibechana-46838	19	6	is	be	AUX
bibechana-46838	19	7	used	use	VERB
bibechana-46838	19	8	to	to	ADP
bibechana-46838	19	9	power	power	NOUN
bibechana-46838	19	10	commercial	commercial	ADJ
bibechana-46838	19	11	nuclear	nuclear	ADJ
bibechana-46838	19	12	reactors	reactor	NOUN
bibechana-46838	19	13	that	that	PRON
bibechana-46838	19	14	produce	produce	VERB
bibechana-46838	19	15	electricity	electricity	NOUN
bibechana-46838	19	16	and	and	CCONJ
bibechana-46838	19	17	to	to	PART
bibechana-46838	19	18	produce	produce	VERB
bibechana-46838	19	19	isotopes	isotope	NOUN
bibechana-46838	19	20	used	use	VERB
bibechana-46838	19	21	for	for	ADP
bibechana-46838	19	22	medical	medical	ADJ
bibechana-46838	19	23	,	,	PUNCT
bibechana-46838	19	24	industrial	industrial	ADJ
bibechana-46838	19	25	,	,	PUNCT
bibechana-46838	19	26	and	and	CCONJ
bibechana-46838	19	27	defence	defence	NOUN
bibechana-46838	19	28	purposes	purpose	NOUN
bibechana-46838	19	29	around	around	ADP
bibechana-46838	19	30	the	the	DET
bibechana-46838	19	31	world	world	NOUN
bibechana-46838	19	32	.	.	PUNCT
bibechana-46838	20	1	the	the	DET
bibechana-46838	20	2	study	study	NOUN
bibechana-46838	20	3	of	of	ADP
bibechana-46838	20	4	electronic	electronic	ADJ
bibechana-46838	20	5	properties	property	NOUN
bibechana-46838	20	6	shows	show	VERB
bibechana-46838	20	7	the	the	DET
bibechana-46838	20	8	atomic	atomic	ADJ
bibechana-46838	20	9	arrangement	arrangement	NOUN
bibechana-46838	20	10	in	in	ADP
bibechana-46838	20	11	such	such	ADJ
bibechana-46838	20	12	material	material	NOUN
bibechana-46838	20	13	and	and	CCONJ
bibechana-46838	20	14	from	from	ADP
bibechana-46838	20	15	that	that	DET
bibechana-46838	20	16	one	one	NOUN
bibechana-46838	20	17	can	can	AUX
bibechana-46838	20	18	develop	develop	VERB
bibechana-46838	20	19	or	or	CCONJ
bibechana-46838	20	20	study	study	VERB
bibechana-46838	20	21	its	its	PRON
bibechana-46838	20	22	isotopic	isotopic	ADJ
bibechana-46838	20	23	substances	substance	NOUN
bibechana-46838	20	24	for	for	ADP
bibechana-46838	20	25	their	their	PRON
bibechana-46838	20	26	various	various	ADJ
bibechana-46838	20	27	nuclear	nuclear	ADJ
bibechana-46838	20	28	applications	application	NOUN
bibechana-46838	20	29	.	.	PUNCT
bibechana-46838	21	1	2	2	X
bibechana-46838	21	2	.	.	X
bibechana-46838	21	3	theory	theory	NOUN
bibechana-46838	21	4	in	in	ADP
bibechana-46838	21	5	condensed	condense	VERB
bibechana-46838	21	6	matter	matter	NOUN
bibechana-46838	21	7	physics	physics	NOUN
bibechana-46838	21	8	,	,	PUNCT
bibechana-46838	21	9	the	the	DET
bibechana-46838	21	10	characterization	characterization	NOUN
bibechana-46838	21	11	of	of	ADP
bibechana-46838	21	12	various	various	ADJ
bibechana-46838	21	13	materials	material	NOUN
bibechana-46838	21	14	depends	depend	VERB
bibechana-46838	21	15	on	on	ADP
bibechana-46838	21	16	the	the	DET
bibechana-46838	21	17	computational	computational	ADJ
bibechana-46838	21	18	and	and	CCONJ
bibechana-46838	21	19	theoretical	theoretical	ADJ
bibechana-46838	21	20	techniques	technique	NOUN
bibechana-46838	21	21	.	.	PUNCT
bibechana-46838	22	1	generally	generally	ADV
bibechana-46838	22	2	,	,	PUNCT
bibechana-46838	22	3	the	the	DET
bibechana-46838	22	4	density	density	NOUN
bibechana-46838	22	5	functional	functional	ADJ
bibechana-46838	22	6	theory	theory	NOUN
bibechana-46838	22	7	(	(	PUNCT
bibechana-46838	22	8	dft	dft	NOUN
bibechana-46838	22	9	)	)	PUNCT
bibechana-46838	22	10	is	be	AUX
bibechana-46838	22	11	one	one	NUM
bibechana-46838	22	12	of	of	ADP
bibechana-46838	22	13	the	the	DET
bibechana-46838	22	14	foremost	foremost	ADJ
bibechana-46838	22	15	techniques	technique	NOUN
bibechana-46838	22	16	based	base	VERB
bibechana-46838	22	17	on	on	ADP
bibechana-46838	22	18	the	the	DET
bibechana-46838	22	19	first	first	ADJ
bibechana-46838	22	20	principle	principle	NOUN
bibechana-46838	22	21	.	.	PUNCT
bibechana-46838	23	1	the	the	DET
bibechana-46838	23	2	time	time	NOUN
bibechana-46838	23	3	independent	independent	ADJ
bibechana-46838	23	4	schrödinger	schrödinger	ADJ
bibechana-46838	23	5	equation	equation	NOUN
bibechana-46838	23	6	for	for	ADP
bibechana-46838	23	7	many	many	ADJ
bibechana-46838	23	8	body	body	NOUN
bibechana-46838	23	9	systems	system	NOUN
bibechana-46838	23	10	like	like	ADP
bibechana-46838	23	11	solids	solid	NOUN
bibechana-46838	23	12	,	,	PUNCT
bibechana-46838	23	13	nanomaterials	nanomaterial	NOUN
bibechana-46838	23	14	and	and	CCONJ
bibechana-46838	23	15	other	other	ADJ
bibechana-46838	23	16	complex	complex	ADJ
bibechana-46838	23	17	systems	system	NOUN
bibechana-46838	23	18	can	can	AUX
bibechana-46838	23	19	be	be	AUX
bibechana-46838	23	20	solved	solve	VERB
bibechana-46838	23	21	efficiently	efficiently	ADV
bibechana-46838	23	22	with	with	ADP
bibechana-46838	23	23	the	the	DET
bibechana-46838	23	24	help	help	NOUN
bibechana-46838	23	25	of	of	ADP
bibechana-46838	23	26	dft	dft	PROPN
bibechana-46838	23	27	[	[	X
bibechana-46838	23	28	17	17	NUM
bibechana-46838	23	29	-	-	SYM
bibechana-46838	23	30	26	26	NUM
bibechana-46838	23	31	]	]	PUNCT
bibechana-46838	23	32	.	.	PUNCT
bibechana-46838	24	1	for	for	ADP
bibechana-46838	24	2	solving	solve	VERB
bibechana-46838	24	3	the	the	DET
bibechana-46838	24	4	many	many	ADJ
bibechana-46838	24	5	body	body	NOUN
bibechana-46838	24	6	interactive	interactive	ADJ
bibechana-46838	24	7	systems	system	NOUN
bibechana-46838	24	8	,	,	PUNCT
bibechana-46838	24	9	wave	wave	NOUN
bibechana-46838	24	10	function	function	NOUN
bibechana-46838	24	11	method	method	NOUN
bibechana-46838	24	12	,	,	PUNCT
bibechana-46838	24	13	viz	viz	PROPN
bibechana-46838	24	14	.	.	PUNCT
bibechana-46838	24	15	hartree	hartree	PROPN
bibechana-46838	24	16	and	and	CCONJ
bibechana-46838	24	17	hartree	hartree	ADV
bibechana-46838	24	18	-	-	PUNCT
bibechana-46838	24	19	fock	fock	ADJ
bibechana-46838	24	20	,	,	PUNCT
bibechana-46838	24	21	based	base	VERB
bibechana-46838	24	22	approximations	approximation	NOUN
bibechana-46838	24	23	are	be	AUX
bibechana-46838	24	24	utilized	utilize	VERB
bibechana-46838	24	25	.	.	PUNCT
bibechana-46838	25	1	in	in	ADP
bibechana-46838	25	2	1964	1964	NUM
bibechana-46838	25	3	,	,	PUNCT
bibechana-46838	25	4	hohenberg	hohenberg	PROPN
bibechana-46838	25	5	and	and	CCONJ
bibechana-46838	25	6	kohn	kohn	PROPN
bibechana-46838	26	1	[	[	X
bibechana-46838	26	2	27	27	NUM
bibechana-46838	26	3	]	]	PUNCT
bibechana-46838	26	4	gave	give	VERB
bibechana-46838	26	5	the	the	DET
bibechana-46838	26	6	basis	basis	NOUN
bibechana-46838	26	7	of	of	ADP
bibechana-46838	26	8	the	the	DET
bibechana-46838	26	9	theory	theory	NOUN
bibechana-46838	26	10	by	by	ADP
bibechana-46838	26	11	saying	say	VERB
bibechana-46838	26	12	that	that	SCONJ
bibechana-46838	26	13	,	,	PUNCT
bibechana-46838	26	14	all	all	DET
bibechana-46838	26	15	the	the	DET
bibechana-46838	26	16	ground	ground	NOUN
bibechana-46838	26	17	state	state	NOUN
bibechana-46838	26	18	properties	property	NOUN
bibechana-46838	26	19	of	of	ADP
bibechana-46838	26	20	a	a	DET
bibechana-46838	26	21	system	system	NOUN
bibechana-46838	26	22	are	be	AUX
bibechana-46838	26	23	the	the	DET
bibechana-46838	26	24	special	special	ADJ
bibechana-46838	26	25	functional	functional	NOUN
bibechana-46838	26	26	of	of	ADP
bibechana-46838	26	27	the	the	DET
bibechana-46838	26	28	density	density	NOUN
bibechana-46838	26	29	of	of	ADP
bibechana-46838	26	30	the	the	DET
bibechana-46838	26	31	ground	ground	NOUN
bibechana-46838	26	32	state	state	NOUN
bibechana-46838	26	33	interacting	interact	VERB
bibechana-46838	26	34	system	system	NOUN
bibechana-46838	26	35	.	.	PUNCT
bibechana-46838	27	1	this	this	PRON
bibechana-46838	27	2	reduces	reduce	VERB
bibechana-46838	27	3	the	the	DET
bibechana-46838	27	4	degrees	degree	NOUN
bibechana-46838	27	5	of	of	ADP
bibechana-46838	27	6	freedom	freedom	NOUN
bibechana-46838	27	7	of	of	ADP
bibechana-46838	27	8	a	a	DET
bibechana-46838	27	9	system	system	NOUN
bibechana-46838	27	10	of	of	ADP
bibechana-46838	27	11	n	n	DET
bibechana-46838	27	12	interacting	interact	VERB
bibechana-46838	27	13	particles	particle	NOUN
bibechana-46838	27	14	from	from	ADP
bibechana-46838	27	15	3n	3n	NUM
bibechana-46838	27	16	to	to	ADP
bibechana-46838	27	17	three	three	NUM
bibechana-46838	27	18	coordinates	coordinate	NOUN
bibechana-46838	27	19	.	.	PUNCT
bibechana-46838	28	1	the	the	DET
bibechana-46838	28	2	limits	limit	NOUN
bibechana-46838	28	3	faced	face	VERB
bibechana-46838	28	4	by	by	ADP
bibechana-46838	28	5	the	the	DET
bibechana-46838	28	6	theory	theory	NOUN
bibechana-46838	28	7	are	be	AUX
bibechana-46838	28	8	that	that	SCONJ
bibechana-46838	28	9	the	the	DET
bibechana-46838	28	10	density	density	NOUN
bibechana-46838	28	11	is	be	AUX
bibechana-46838	28	12	either	either	CCONJ
bibechana-46838	28	13	constant	constant	ADJ
bibechana-46838	28	14	or	or	CCONJ
bibechana-46838	28	15	it	it	PRON
bibechana-46838	28	16	varies	vary	VERB
bibechana-46838	28	17	slowly	slowly	ADV
bibechana-46838	28	18	;	;	PUNCT
bibechana-46838	28	19	however	however	ADV
bibechana-46838	28	20	,	,	PUNCT
bibechana-46838	28	21	the	the	DET
bibechana-46838	28	22	actual	actual	ADJ
bibechana-46838	28	23	electronic	electronic	ADJ
bibechana-46838	28	24	systems	system	NOUN
bibechana-46838	28	25	do	do	AUX
bibechana-46838	28	26	not	not	PART
bibechana-46838	28	27	fall	fall	VERB
bibechana-46838	28	28	in	in	ADP
bibechana-46838	28	29	any	any	PRON
bibechana-46838	28	30	of	of	ADP
bibechana-46838	28	31	these	these	DET
bibechana-46838	28	32	categories	category	NOUN
bibechana-46838	28	33	.	.	PUNCT
bibechana-46838	29	1	in	in	ADP
bibechana-46838	29	2	1965	1965	NUM
bibechana-46838	29	3	,	,	PUNCT
bibechana-46838	29	4	kohn	kohn	PROPN
bibechana-46838	29	5	and	and	CCONJ
bibechana-46838	29	6	sham	sham	ADJ
bibechana-46838	29	7	[	[	X
bibechana-46838	29	8	28	28	NUM
bibechana-46838	29	9	]	]	PUNCT
bibechana-46838	29	10	came	come	VERB
bibechana-46838	29	11	up	up	ADP
bibechana-46838	29	12	with	with	ADP
bibechana-46838	29	13	a	a	DET
bibechana-46838	29	14	way	way	NOUN
bibechana-46838	29	15	out	out	ADV
bibechana-46838	29	16	for	for	ADP
bibechana-46838	29	17	these	these	DET
bibechana-46838	29	18	shortcomings	shortcoming	NOUN
bibechana-46838	29	19	and	and	CCONJ
bibechana-46838	29	20	gave	give	VERB
bibechana-46838	29	21	solution	solution	NOUN
bibechana-46838	29	22	of	of	ADP
bibechana-46838	29	23	many	many	ADJ
bibechana-46838	29	24	body	body	NOUN
bibechana-46838	29	25	schrödinger	schrödinger	ADJ
bibechana-46838	29	26	equation	equation	NOUN
bibechana-46838	29	27	in	in	ADP
bibechana-46838	29	28	the	the	DET
bibechana-46838	29	29	form	form	NOUN
bibechana-46838	29	30	of	of	ADP
bibechana-46838	29	31	density	density	NOUN
bibechana-46838	29	32	.	.	PUNCT
bibechana-46838	30	1	the	the	DET
bibechana-46838	30	2	exchange	exchange	NOUN
bibechana-46838	30	3	correlation	correlation	NOUN
bibechana-46838	30	4	effects	effect	NOUN
bibechana-46838	30	5	fulfilling	fulfil	VERB
bibechana-46838	30	6	the	the	DET
bibechana-46838	30	7	pauli‟s	pauli‟s	ADJ
bibechana-46838	30	8	principle	principle	NOUN
bibechana-46838	30	9	,	,	PUNCT
bibechana-46838	30	10	also	also	ADV
bibechana-46838	30	11	portraying	portray	VERB
bibechana-46838	30	12	the	the	DET
bibechana-46838	30	13	coulomb	coulomb	NOUN
bibechana-46838	30	14	potential	potential	NOUN
bibechana-46838	30	15	are	be	AUX
bibechana-46838	30	16	added	add	VERB
bibechana-46838	30	17	to	to	ADP
bibechana-46838	30	18	the	the	DET
bibechana-46838	30	19	solution	solution	NOUN
bibechana-46838	30	20	,	,	PUNCT
bibechana-46838	30	21	giving	give	VERB
bibechana-46838	30	22	results	result	NOUN
bibechana-46838	30	23	using	use	VERB
bibechana-46838	30	24	dft	dft	PROPN
bibechana-46838	30	25	.	.	PUNCT
bibechana-46838	31	1	local	local	ADJ
bibechana-46838	31	2	density	density	NOUN
bibechana-46838	31	3	approximation	approximation	NOUN
bibechana-46838	31	4	(	(	PUNCT
bibechana-46838	31	5	lda	lda	PROPN
bibechana-46838	31	6	)	)	PUNCT
bibechana-46838	31	7	and	and	CCONJ
bibechana-46838	31	8	generalized	generalized	ADJ
bibechana-46838	31	9	gradient	gradient	NOUN
bibechana-46838	31	10	approximation	approximation	NOUN
bibechana-46838	31	11	(	(	PUNCT
bibechana-46838	31	12	gga	gga	PROPN
bibechana-46838	31	13	)	)	PUNCT
bibechana-46838	31	14	are	be	AUX
bibechana-46838	31	15	such	such	ADJ
bibechana-46838	31	16	approximation	approximation	NOUN
bibechana-46838	31	17	that	that	PRON
bibechana-46838	31	18	improves	improve	VERB
bibechana-46838	31	19	the	the	DET
bibechana-46838	31	20	results	result	NOUN
bibechana-46838	31	21	compared	compare	VERB
bibechana-46838	31	22	to	to	ADP
bibechana-46838	31	23	the	the	DET
bibechana-46838	31	24	conventional	conventional	ADJ
bibechana-46838	31	25	wave	wave	NOUN
bibechana-46838	31	26	function	function	NOUN
bibechana-46838	31	27	method	method	NOUN
bibechana-46838	31	28	such	such	ADJ
bibechana-46838	31	29	as	as	ADP
bibechana-46838	31	30	hartree	hartree	ADJ
bibechana-46838	31	31	[	[	X
bibechana-46838	31	32	29	29	NUM
bibechana-46838	31	33	]	]	PUNCT
bibechana-46838	31	34	and	and	CCONJ
bibechana-46838	31	35	hartree	hartree	ADV
bibechana-46838	31	36	-	-	PUNCT
bibechana-46838	31	37	fock	fock	ADJ
bibechana-46838	31	38	approximations	approximation	NOUN
bibechana-46838	31	39	[	[	X
bibechana-46838	31	40	30	30	NUM
bibechana-46838	31	41	]	]	PUNCT
bibechana-46838	31	42	.	.	PUNCT
bibechana-46838	32	1	various	various	ADJ
bibechana-46838	32	2	software	software	NOUN
bibechana-46838	32	3	packages	package	NOUN
bibechana-46838	32	4	have	have	AUX
bibechana-46838	32	5	been	be	AUX
bibechana-46838	32	6	developed	develop	VERB
bibechana-46838	32	7	on	on	ADP
bibechana-46838	32	8	the	the	DET
bibechana-46838	32	9	basis	basis	NOUN
bibechana-46838	32	10	of	of	ADP
bibechana-46838	32	11	dft	dft	PROPN
bibechana-46838	32	12	,	,	PUNCT
bibechana-46838	32	13	for	for	ADP
bibechana-46838	32	14	the	the	DET
bibechana-46838	32	15	computation	computation	NOUN
bibechana-46838	32	16	of	of	ADP
bibechana-46838	32	17	properties	property	NOUN
bibechana-46838	32	18	of	of	ADP
bibechana-46838	32	19	material	material	NOUN
bibechana-46838	32	20	requiring	require	VERB
bibechana-46838	32	21	only	only	ADJ
bibechana-46838	32	22	information	information	NOUN
bibechana-46838	32	23	of	of	ADP
bibechana-46838	32	24	electron	electron	NOUN
bibechana-46838	32	25	density	density	NOUN
bibechana-46838	32	26	and	and	CCONJ
bibechana-46838	32	27	some	some	DET
bibechana-46838	32	28	basic	basic	ADJ
bibechana-46838	32	29	crystallographic	crystallographic	ADJ
bibechana-46838	32	30	information	information	NOUN
bibechana-46838	32	31	of	of	ADP
bibechana-46838	32	32	the	the	DET
bibechana-46838	32	33	material	material	NOUN
bibechana-46838	32	34	.	.	PUNCT
bibechana-46838	33	1	thus	thus	ADV
bibechana-46838	33	2	,	,	PUNCT
bibechana-46838	33	3	it	it	PRON
bibechana-46838	33	4	is	be	AUX
bibechana-46838	33	5	parameter	parameter	NOUN
bibechana-46838	33	6	free	free	ADJ
bibechana-46838	33	7	and	and	CCONJ
bibechana-46838	33	8	hence	hence	ADV
bibechana-46838	33	9	called	call	VERB
bibechana-46838	33	10	first	first	ADJ
bibechana-46838	33	11	principle	principle	ADJ
bibechana-46838	33	12	theory	theory	NOUN
bibechana-46838	33	13	.	.	PUNCT
bibechana-46838	34	1	there	there	PRON
bibechana-46838	34	2	are	be	VERB
bibechana-46838	34	3	several	several	ADJ
bibechana-46838	34	4	computational	computational	ADJ
bibechana-46838	34	5	codes	code	NOUN
bibechana-46838	34	6	are	be	AUX
bibechana-46838	34	7	available	available	ADJ
bibechana-46838	34	8	based	base	VERB
bibechana-46838	34	9	on	on	ADP
bibechana-46838	34	10	the	the	DET
bibechana-46838	34	11	dft	dft	PROPN
bibechana-46838	34	12	method	method	NOUN
bibechana-46838	34	13	.	.	PUNCT
bibechana-46838	35	1	a	a	DET
bibechana-46838	35	2	few	few	ADJ
bibechana-46838	35	3	of	of	ADP
bibechana-46838	35	4	them	they	PRON
bibechana-46838	35	5	are	be	AUX
bibechana-46838	35	6	quantum	quantum	ADJ
bibechana-46838	35	7	espresso	espresso	NOUN
bibechana-46838	35	8	(	(	PUNCT
bibechana-46838	35	9	quantum	quantum	NOUN
bibechana-46838	35	10	open	open	ADJ
bibechana-46838	35	11	source	source	NOUN
bibechana-46838	35	12	package	package	NOUN
bibechana-46838	35	13	for	for	ADP
bibechana-46838	35	14	research	research	NOUN
bibechana-46838	35	15	in	in	ADP
bibechana-46838	35	16	electronic	electronic	ADJ
bibechana-46838	35	17	structure	structure	NOUN
bibechana-46838	35	18	,	,	PUNCT
bibechana-46838	35	19	simulation	simulation	NOUN
bibechana-46838	35	20	and	and	CCONJ
bibechana-46838	35	21	optimization	optimization	NOUN
bibechana-46838	35	22	)	)	PUNCT
bibechana-46838	36	1	[	[	X
bibechana-46838	36	2	31	31	NUM
bibechana-46838	36	3	]	]	PUNCT
bibechana-46838	36	4	,	,	PUNCT
bibechana-46838	36	5	siesta	siesta	PROPN
bibechana-46838	36	6	(	(	PUNCT
bibechana-46838	36	7	spanish	spanish	ADJ
bibechana-46838	36	8	initiative	initiative	NOUN
bibechana-46838	36	9	for	for	ADP
bibechana-46838	36	10	electronic	electronic	ADJ
bibechana-46838	36	11	simulations	simulation	NOUN
bibechana-46838	36	12	with	with	ADP
bibechana-46838	36	13	thousands	thousand	NOUN
bibechana-46838	36	14	of	of	ADP
bibechana-46838	36	15	atoms	atom	NOUN
bibechana-46838	36	16	)	)	PUNCT
bibechana-46838	37	1	[	[	X
bibechana-46838	37	2	32	32	NUM
bibechana-46838	37	3	]	]	PUNCT
bibechana-46838	37	4	,	,	PUNCT
bibechana-46838	37	5	vasp	vasp	NOUN
bibechana-46838	37	6	(	(	PUNCT
bibechana-46838	37	7	vienna	vienna	PROPN
bibechana-46838	37	8	ab	ab	PROPN
bibechana-46838	37	9	-	-	PUNCT
bibechana-46838	37	10	initio	initio	PROPN
bibechana-46838	37	11	simulation	simulation	NOUN
bibechana-46838	37	12	package	package	NOUN
bibechana-46838	37	13	)	)	PUNCT
bibechana-46838	38	1	[	[	X
bibechana-46838	38	2	33	33	NUM
bibechana-46838	38	3	]	]	PUNCT
bibechana-46838	38	4	,	,	PUNCT
bibechana-46838	38	5	wien2k	wien2k	ADV
bibechana-46838	38	6	[	[	X
bibechana-46838	38	7	34	34	NUM
bibechana-46838	38	8	]	]	PUNCT
bibechana-46838	38	9	,	,	PUNCT
bibechana-46838	38	10	castep	castep	NOUN
bibechana-46838	38	11	(	(	PUNCT
bibechana-46838	38	12	cambridge	cambridge	PROPN
bibechana-46838	38	13	serial	serial	PROPN
bibechana-46838	38	14	total	total	ADJ
bibechana-46838	38	15	energy	energy	NOUN
bibechana-46838	38	16	package	package	NOUN
bibechana-46838	38	17	)	)	PUNCT
bibechana-46838	39	1	[	[	X
bibechana-46838	39	2	35	35	NUM
bibechana-46838	39	3	]	]	PUNCT
bibechana-46838	39	4	and	and	CCONJ
bibechana-46838	39	5	abinit	abinit	VERB
bibechana-46838	39	6	[	[	X
bibechana-46838	39	7	36	36	NUM
bibechana-46838	39	8	]	]	PUNCT
bibechana-46838	39	9	etc	etc	X
bibechana-46838	39	10	.	.	X
bibechana-46838	40	1	these	these	DET
bibechana-46838	40	2	codes	code	NOUN
bibechana-46838	40	3	have	have	VERB
bibechana-46838	40	4	different	different	ADJ
bibechana-46838	40	5	implementation	implementation	NOUN
bibechana-46838	40	6	techniques	technique	NOUN
bibechana-46838	40	7	for	for	ADP
bibechana-46838	40	8	the	the	DET
bibechana-46838	40	9	calculation	calculation	NOUN
bibechana-46838	40	10	of	of	ADP
bibechana-46838	40	11	properties	property	NOUN
bibechana-46838	40	12	and	and	CCONJ
bibechana-46838	40	13	can	can	AUX
bibechana-46838	40	14	be	be	AUX
bibechana-46838	40	15	used	use	VERB
bibechana-46838	40	16	to	to	PART
bibechana-46838	40	17	complement	complement	VERB
bibechana-46838	40	18	each	each	DET
bibechana-46838	40	19	other.the	other.the	DET
bibechana-46838	40	20	density	density	NOUN
bibechana-46838	40	21	functional	functional	ADJ
bibechana-46838	40	22	theory	theory	NOUN
bibechana-46838	40	23	(	(	PUNCT
bibechana-46838	40	24	dft	dft	NOUN
bibechana-46838	40	25	)	)	PUNCT
bibechana-46838	40	26	based	base	VERB
bibechana-46838	40	27	formulation	formulation	NOUN
bibechana-46838	40	28	are	be	AUX
bibechana-46838	40	29	found	find	VERB
bibechana-46838	40	30	more	more	ADV
bibechana-46838	40	31	useful	useful	ADJ
bibechana-46838	40	32	for	for	ADP
bibechana-46838	40	33	computing	compute	VERB
bibechana-46838	40	34	the	the	DET
bibechana-46838	40	35	structural	structural	ADJ
bibechana-46838	40	36	and	and	CCONJ
bibechana-46838	40	37	electronic	electronic	ADJ
bibechana-46838	40	38	properties	property	NOUN
bibechana-46838	40	39	of	of	ADP
bibechana-46838	40	40	materials	material	NOUN
bibechana-46838	40	41	[	[	X
bibechana-46838	40	42	17	17	NUM
bibechana-46838	40	43	-	-	SYM
bibechana-46838	40	44	26	26	NUM
bibechana-46838	40	45	]	]	PUNCT
bibechana-46838	40	46	.	.	PUNCT
bibechana-46838	41	1	with	with	ADP
bibechana-46838	41	2	the	the	DET
bibechana-46838	41	3	advantage	advantage	NOUN
bibechana-46838	41	4	of	of	ADP
bibechana-46838	41	5	the	the	DET
bibechana-46838	41	6	electronic	electronic	ADJ
bibechana-46838	41	7	structure	structure	NOUN
bibechana-46838	41	8	simulation	simulation	NOUN
bibechana-46838	41	9	based	base	VERB
bibechana-46838	41	10	on	on	ADP
bibechana-46838	41	11	density	density	NOUN
bibechana-46838	41	12	function	function	NOUN
bibechana-46838	41	13	theory	theory	NOUN
bibechana-46838	41	14	(	(	PUNCT
bibechana-46838	41	15	dft	dft	PROPN
bibechana-46838	41	16	)	)	PUNCT
bibechana-46838	41	17	,	,	PUNCT
bibechana-46838	41	18	the	the	DET
bibechana-46838	41	19	present	present	ADJ
bibechana-46838	41	20	work	work	NOUN
bibechana-46838	41	21	mainly	mainly	ADV
bibechana-46838	41	22	focuses	focus	VERB
bibechana-46838	41	23	on	on	ADP
bibechana-46838	41	24	the	the	DET
bibechana-46838	41	25	electronic	electronic	ADJ
bibechana-46838	41	26	properties	property	NOUN
bibechana-46838	41	27	viz	viz	VERB
bibechana-46838	41	28	;	;	PUNCT
bibechana-46838	41	29	electronic	electronic	ADJ
bibechana-46838	41	30	band	band	NOUN
bibechana-46838	41	31	structure	structure	NOUN
bibechana-46838	41	32	,	,	PUNCT
bibechana-46838	41	33	total	total	ADJ
bibechana-46838	41	34	electron	electron	NOUN
bibechana-46838	41	35	density	density	NOUN
bibechana-46838	41	36	of	of	ADP
bibechana-46838	41	37	states	state	NOUN
bibechana-46838	41	38	(	(	PUNCT
bibechana-46838	41	39	dos	dos	PROPN
bibechana-46838	41	40	)	)	PUNCT
bibechana-46838	41	41	,	,	PUNCT
bibechana-46838	41	42	partial	partial	ADJ
bibechana-46838	41	43	dos	do	NOUN
bibechana-46838	41	44	,	,	PUNCT
bibechana-46838	41	45	integrated	integrate	VERB
bibechana-46838	41	46	dos	do	NOUN
bibechana-46838	41	47	and	and	CCONJ
bibechana-46838	41	48	the	the	DET
bibechana-46838	41	49	fermi	fermi	NOUN
bibechana-46838	41	50	surface	surface	NOUN
bibechana-46838	41	51	study	study	NOUN
bibechana-46838	41	52	of	of	ADP
bibechana-46838	41	53	-uranium	-uranium	PROPN
bibechana-46838	41	54	metal	metal	NOUN
bibechana-46838	41	55	.	.	PUNCT
bibechana-46838	42	1	such	such	ADJ
bibechana-46838	42	2	simulations	simulation	NOUN
bibechana-46838	42	3	are	be	AUX
bibechana-46838	42	4	carried	carry	VERB
bibechana-46838	42	5	bibechana	bibechana	NOUN
bibechana-46838	42	6	19	19	NUM
bibechana-46838	42	7	(	(	PUNCT
bibechana-46838	42	8	1	1	NUM
bibechana-46838	42	9	-	-	SYM
bibechana-46838	42	10	2	2	NUM
bibechana-46838	42	11	)	)	PUNCT
bibechana-46838	42	12	(	(	PUNCT
bibechana-46838	42	13	2022	2022	NUM
bibechana-46838	42	14	)	)	PUNCT
bibechana-46838	42	15	208	208	NUM
bibechana-46838	42	16	-	-	SYM
bibechana-46838	42	17	213	213	NUM
bibechana-46838	42	18	210	210	NUM
bibechana-46838	42	19	out	out	ADP
bibechana-46838	42	20	through	through	ADP
bibechana-46838	42	21	quantum	quantum	ADJ
bibechana-46838	42	22	espresso	espresso	NOUN
bibechana-46838	42	23	package	package	NOUN
bibechana-46838	42	24	[	[	X
bibechana-46838	42	25	31	31	NUM
bibechana-46838	42	26	]	]	PUNCT
bibechana-46838	42	27	working	work	VERB
bibechana-46838	42	28	in	in	ADP
bibechana-46838	42	29	winmostar	winmostar	NOUN
bibechana-46838	42	30	[	[	X
bibechana-46838	42	31	37	37	NUM
bibechana-46838	42	32	]	]	PUNCT
bibechana-46838	42	33	environment	environment	NOUN
bibechana-46838	42	34	.	.	PUNCT
bibechana-46838	43	1	the	the	DET
bibechana-46838	43	2	gga	gga	NOUN
bibechana-46838	43	3	with	with	ADP
bibechana-46838	43	4	pbe	pbe	ADJ
bibechana-46838	43	5	function	function	NOUN
bibechana-46838	43	6	are	be	AUX
bibechana-46838	43	7	utilized	utilize	VERB
bibechana-46838	43	8	to	to	PART
bibechana-46838	43	9	indulge	indulge	VERB
bibechana-46838	43	10	the	the	DET
bibechana-46838	43	11	exchange	exchange	NOUN
bibechana-46838	43	12	correlation	correlation	NOUN
bibechana-46838	43	13	effects	effect	NOUN
bibechana-46838	43	14	[	[	X
bibechana-46838	43	15	38	38	NUM
bibechana-46838	43	16	]	]	PUNCT
bibechana-46838	43	17	along	along	ADP
bibechana-46838	43	18	with	with	ADP
bibechana-46838	43	19	the	the	DET
bibechana-46838	43	20	paw	paw	NOUN
bibechana-46838	43	21	-	-	PUNCT
bibechana-46838	43	22	type	type	NOUN
bibechana-46838	43	23	pseudopotential	pseudopotential	NOUN
bibechana-46838	43	24	[	[	X
bibechana-46838	43	25	39	39	NUM
bibechana-46838	43	26	]	]	PUNCT
bibechana-46838	43	27	.	.	PUNCT
bibechana-46838	44	1	3	3	X
bibechana-46838	44	2	.	.	NOUN
bibechana-46838	44	3	results	result	NOUN
bibechana-46838	44	4	and	and	CCONJ
bibechana-46838	44	5	discussion	discussion	NOUN
bibechana-46838	44	6	the	the	DET
bibechana-46838	44	7	plane	plane	NOUN
bibechana-46838	44	8	waves	wave	NOUN
bibechana-46838	44	9	are	be	AUX
bibechana-46838	44	10	taken	take	VERB
bibechana-46838	44	11	with	with	ADP
bibechana-46838	44	12	kinetic	kinetic	ADJ
bibechana-46838	44	13	energy	energy	NOUN
bibechana-46838	44	14	cut	cut	VERB
bibechana-46838	44	15	off	off	ADP
bibechana-46838	44	16	20	20	NUM
bibechana-46838	44	17	ry	ry	NOUN
bibechana-46838	44	18	and	and	CCONJ
bibechana-46838	44	19	charge	charge	NOUN
bibechana-46838	44	20	density	density	NOUN
bibechana-46838	44	21	cut	cut	VERB
bibechana-46838	44	22	off	off	ADP
bibechana-46838	44	23	80	80	NUM
bibechana-46838	44	24	ry	ry	NOUN
bibechana-46838	44	25	are	be	AUX
bibechana-46838	44	26	considered	consider	VERB
bibechana-46838	44	27	.	.	PUNCT
bibechana-46838	45	1	while	while	SCONJ
bibechana-46838	45	2	,	,	PUNCT
bibechana-46838	45	3	the	the	DET
bibechana-46838	45	4	𝑘	𝑘	PROPN
bibechana-46838	45	5	-point	-point	PROPN
bibechana-46838	45	6	mesh	mesh	NOUN
bibechana-46838	45	7	of	of	ADP
bibechana-46838	45	8	4	4	NUM
bibechana-46838	45	9	×	×	NOUN
bibechana-46838	45	10	4	4	NUM
bibechana-46838	45	11	×	×	NOUN
bibechana-46838	45	12	4	4	NUM
bibechana-46838	45	13	are	be	AUX
bibechana-46838	45	14	used	use	VERB
bibechana-46838	45	15	to	to	PART
bibechana-46838	45	16	carried	carry	VERB
bibechana-46838	45	17	out	out	ADP
bibechana-46838	45	18	the	the	DET
bibechana-46838	45	19	integration	integration	NOUN
bibechana-46838	45	20	over	over	ADP
bibechana-46838	45	21	the	the	DET
bibechana-46838	45	22	first	first	ADJ
bibechana-46838	45	23	brillouin	brillouin	NOUN
bibechana-46838	45	24	zone	zone	NOUN
bibechana-46838	45	25	.	.	PUNCT
bibechana-46838	46	1	the	the	DET
bibechana-46838	46	2	equilibrium	equilibrium	NOUN
bibechana-46838	46	3	geometry	geometry	NOUN
bibechana-46838	46	4	is	be	AUX
bibechana-46838	46	5	seen	see	VERB
bibechana-46838	46	6	by	by	ADP
bibechana-46838	46	7	optimizing	optimize	VERB
bibechana-46838	46	8	the	the	DET
bibechana-46838	46	9	atomic	atomic	ADJ
bibechana-46838	46	10	positions	position	NOUN
bibechana-46838	46	11	of	of	ADP
bibechana-46838	46	12	the	the	DET
bibechana-46838	46	13	said	say	VERB
bibechana-46838	46	14	structure	structure	NOUN
bibechana-46838	46	15	and	and	CCONJ
bibechana-46838	46	16	is	be	AUX
bibechana-46838	46	17	converged	converge	VERB
bibechana-46838	46	18	at	at	ADP
bibechana-46838	46	19	accuracy	accuracy	NOUN
bibechana-46838	46	20	in	in	ADP
bibechana-46838	46	21	energy	energy	NOUN
bibechana-46838	46	22	of	of	ADP
bibechana-46838	46	23	the	the	DET
bibechana-46838	46	24	order	order	NOUN
bibechana-46838	46	25	of	of	ADP
bibechana-46838	46	26	10	10	NUM
bibechana-46838	46	27	-	-	SYM
bibechana-46838	46	28	6	6	NUM
bibechana-46838	46	29	ry	ry	NOUN
bibechana-46838	46	30	.	.	PUNCT
bibechana-46838	47	1	the	the	DET
bibechana-46838	47	2	space	space	NOUN
bibechana-46838	47	3	group	group	NOUN
bibechana-46838	47	4	of	of	ADP
bibechana-46838	47	5	-uranium	-uranium	PROPN
bibechana-46838	47	6	is	be	AUX
bibechana-46838	47	7	cmcm	cmcm	NOUN
bibechana-46838	47	8	.	.	PUNCT
bibechana-46838	48	1	in	in	ADP
bibechana-46838	48	2	which	which	PRON
bibechana-46838	48	3	,	,	PUNCT
bibechana-46838	48	4	total	total	ADJ
bibechana-46838	48	5	4	4	NUM
bibechana-46838	48	6	-	-	PUNCT
bibechana-46838	48	7	atoms	atom	NOUN
bibechana-46838	48	8	are	be	AUX
bibechana-46838	48	9	in	in	ADP
bibechana-46838	48	10	its	its	PRON
bibechana-46838	48	11	conventional	conventional	ADJ
bibechana-46838	48	12	unit	unit	NOUN
bibechana-46838	48	13	cell	cell	NOUN
bibechana-46838	48	14	,	,	PUNCT
bibechana-46838	48	15	with	with	ADP
bibechana-46838	48	16	an	an	DET
bibechana-46838	48	17	advent	advent	NOUN
bibechana-46838	48	18	of	of	ADP
bibechana-46838	48	19	fcc	fcc	PROPN
bibechana-46838	48	20	crystals	crystal	NOUN
bibechana-46838	48	21	as	as	SCONJ
bibechana-46838	48	22	displayed	display	VERB
bibechana-46838	48	23	in	in	ADP
bibechana-46838	48	24	figure	figure	NOUN
bibechana-46838	48	25	1	1	NUM
bibechana-46838	48	26	.	.	PUNCT
bibechana-46838	48	27	fig	fig	NOUN
bibechana-46838	48	28	.	.	PUNCT
bibechana-46838	49	1	1	1	NUM
bibechana-46838	49	2	:	:	PUNCT
bibechana-46838	49	3	crystal	crystal	NOUN
bibechana-46838	49	4	structure	structure	NOUN
bibechana-46838	49	5	of	of	ADP
bibechana-46838	49	6	-uranium	-uranium	PROPN
bibechana-46838	49	7	.	.	PUNCT
bibechana-46838	50	1	its	its	PRON
bibechana-46838	50	2	results	result	NOUN
bibechana-46838	50	3	from	from	ADP
bibechana-46838	50	4	extending	extend	VERB
bibechana-46838	50	5	a	a	DET
bibechana-46838	50	6	cubic	cubic	ADJ
bibechana-46838	50	7	lattice	lattice	NOUN
bibechana-46838	50	8	along	along	ADP
bibechana-46838	50	9	with	with	ADP
bibechana-46838	50	10	two	two	NUM
bibechana-46838	50	11	of	of	ADP
bibechana-46838	50	12	its	its	PRON
bibechana-46838	50	13	orthogonal	orthogonal	ADJ
bibechana-46838	50	14	pairs	pair	NOUN
bibechana-46838	50	15	with	with	ADP
bibechana-46838	50	16	a	a	DET
bibechana-46838	50	17	dissimilar	dissimilar	ADJ
bibechana-46838	50	18	lattice	lattice	NOUN
bibechana-46838	50	19	parameter	parameter	NOUN
bibechana-46838	50	20	.	.	PUNCT
bibechana-46838	51	1	the	the	DET
bibechana-46838	51	2	experimentally	experimentally	ADV
bibechana-46838	51	3	lattice	lattice	ADJ
bibechana-46838	51	4	parameters	parameter	NOUN
bibechana-46838	51	5	are	be	AUX
bibechana-46838	51	6	given	give	VERB
bibechana-46838	51	7	as	as	ADP
bibechana-46838	51	8	𝑎	𝑎	PROPN
bibechana-46838	51	9	=	=	SYM
bibechana-46838	51	10	2.84å	2.84å	NUM
bibechana-46838	51	11	,	,	PUNCT
bibechana-46838	51	12	𝑏	𝑏	PROPN
bibechana-46838	51	13	=	=	SYM
bibechana-46838	51	14	5.86å	5.86å	NUM
bibechana-46838	51	15	and	and	CCONJ
bibechana-46838	51	16	𝑐	𝑐	NOUN
bibechana-46838	51	17	=	=	SYM
bibechana-46838	51	18	4.93	4.93	NUM
bibechana-46838	51	19	å	å	PROPN
bibechana-46838	52	1	[	[	X
bibechana-46838	52	2	6	6	NUM
bibechana-46838	52	3	]	]	PUNCT
bibechana-46838	52	4	.	.	PUNCT
bibechana-46838	53	1	also	also	ADV
bibechana-46838	53	2	,	,	PUNCT
bibechana-46838	53	3	all	all	DET
bibechana-46838	53	4	three	three	NUM
bibechana-46838	53	5	vectors	vector	NOUN
bibechana-46838	53	6	intersect	intersect	ADJ
bibechana-46838	53	7	at	at	ADP
bibechana-46838	53	8	90	90	NUM
bibechana-46838	53	9	°	°	NOUN
bibechana-46838	53	10	angles	angle	NOUN
bibechana-46838	53	11	(	(	PUNCT
bibechana-46838	53	12	i.e.	i.e.	X
bibechana-46838	53	13	𝛼	𝛼	X
bibechana-46838	53	14	=	=	SYM
bibechana-46838	53	15	𝛽	𝛽	NOUN
bibechana-46838	53	16	=	=	SYM
bibechana-46838	53	17	𝛾	𝛾	NOUN
bibechana-46838	53	18	=	=	SYM
bibechana-46838	53	19	90	90	NUM
bibechana-46838	53	20	,	,	PUNCT
bibechana-46838	53	21	hence	hence	ADV
bibechana-46838	53	22	such	such	ADJ
bibechana-46838	53	23	three	three	NUM
bibechana-46838	53	24	lattice	lattice	NOUN
bibechana-46838	53	25	vectors	vector	NOUN
bibechana-46838	53	26	remain	remain	VERB
bibechana-46838	53	27	mutually	mutually	ADV
bibechana-46838	53	28	orthogonal	orthogonal	ADJ
bibechana-46838	53	29	to	to	ADP
bibechana-46838	53	30	each	each	DET
bibechana-46838	53	31	other	other	ADJ
bibechana-46838	53	32	.	.	PUNCT
bibechana-46838	54	1	the	the	DET
bibechana-46838	54	2	first	first	ADJ
bibechana-46838	54	3	brillouin	brillouin	NOUN
bibechana-46838	54	4	zone	zone	NOUN
bibechana-46838	54	5	of	of	ADP
bibechana-46838	54	6	-uranium	-uranium	PROPN
bibechana-46838	54	7	is	be	AUX
bibechana-46838	54	8	seen	see	VERB
bibechana-46838	54	9	in	in	ADP
bibechana-46838	54	10	figure	figure	NOUN
bibechana-46838	54	11	2	2	NUM
bibechana-46838	54	12	.	.	PUNCT
bibechana-46838	54	13	fig	fig	NOUN
bibechana-46838	54	14	.	.	PUNCT
bibechana-46838	55	1	2	2	NUM
bibechana-46838	55	2	:	:	PUNCT
bibechana-46838	55	3	the	the	DET
bibechana-46838	55	4	first	first	ADJ
bibechana-46838	55	5	brillouin	brillouin	NOUN
bibechana-46838	55	6	zone	zone	NOUN
bibechana-46838	55	7	of	of	ADP
bibechana-46838	55	8	-uranium	-uranium	PROPN
bibechana-46838	55	9	.	.	PUNCT
bibechana-46838	56	1	the	the	DET
bibechana-46838	56	2	electronic	electronic	ADJ
bibechana-46838	56	3	band	band	NOUN
bibechana-46838	56	4	structure	structure	NOUN
bibechana-46838	56	5	,	,	PUNCT
bibechana-46838	56	6	the	the	DET
bibechana-46838	56	7	total	total	ADJ
bibechana-46838	56	8	electron	electron	NOUN
bibechana-46838	56	9	density	density	NOUN
bibechana-46838	56	10	of	of	ADP
bibechana-46838	56	11	states	state	NOUN
bibechana-46838	56	12	(	(	PUNCT
bibechana-46838	56	13	dos	dos	PROPN
bibechana-46838	56	14	)	)	PUNCT
bibechana-46838	56	15	,	,	PUNCT
bibechana-46838	56	16	integrated	integrate	VERB
bibechana-46838	56	17	dos	do	NOUN
bibechana-46838	56	18	and	and	CCONJ
bibechana-46838	56	19	the	the	DET
bibechana-46838	56	20	partial	partial	ADJ
bibechana-46838	56	21	dos	do	NOUN
bibechana-46838	56	22	are	be	AUX
bibechana-46838	56	23	displayed	display	VERB
bibechana-46838	56	24	figures	figure	NOUN
bibechana-46838	56	25	.	.	PUNCT
bibechana-46838	57	1	3	3	NUM
bibechana-46838	57	2	-	-	SYM
bibechana-46838	57	3	6	6	NUM
bibechana-46838	57	4	,	,	PUNCT
bibechana-46838	57	5	respectively	respectively	ADV
bibechana-46838	57	6	for	for	ADP
bibechana-46838	57	7	-uranium	-uranium	PROPN
bibechana-46838	57	8	.	.	PUNCT
bibechana-46838	58	1	here	here	ADV
bibechana-46838	58	2	,	,	PUNCT
bibechana-46838	58	3	from	from	ADP
bibechana-46838	58	4	figure	figure	NOUN
bibechana-46838	58	5	3	3	NUM
bibechana-46838	58	6	,	,	PUNCT
bibechana-46838	58	7	it	it	PRON
bibechana-46838	58	8	can	can	AUX
bibechana-46838	58	9	be	be	AUX
bibechana-46838	58	10	observed	observe	VERB
bibechana-46838	58	11	that	that	SCONJ
bibechana-46838	58	12	the	the	DET
bibechana-46838	58	13	several	several	ADJ
bibechana-46838	58	14	lowest	low	ADJ
bibechana-46838	58	15	bands	band	NOUN
bibechana-46838	58	16	lower	low	ADJ
bibechana-46838	58	17	the	the	DET
bibechana-46838	58	18	fermi	fermi	NOUN
bibechana-46838	58	19	level	level	NOUN
bibechana-46838	58	20	nearer	near	ADV
bibechana-46838	58	21	to	to	PART
bibechana-46838	58	22	-1	-1	INTJ
bibechana-46838	58	23	ev	ev	PROPN
bibechana-46838	58	24	are	be	AUX
bibechana-46838	58	25	mostly	mostly	ADV
bibechana-46838	58	26	due	due	ADJ
bibechana-46838	58	27	to	to	ADP
bibechana-46838	58	28	𝑓-electrons	𝑓-electron	NOUN
bibechana-46838	58	29	of	of	ADP
bibechana-46838	58	30	the	the	DET
bibechana-46838	58	31	element	element	NOUN
bibechana-46838	58	32	.	.	PUNCT
bibechana-46838	59	1	the	the	DET
bibechana-46838	59	2	area	area	NOUN
bibechana-46838	59	3	around	around	ADP
bibechana-46838	59	4	fermi	fermi	NOUN
bibechana-46838	59	5	level	level	NOUN
bibechana-46838	59	6	is	be	AUX
bibechana-46838	59	7	formed	form	VERB
bibechana-46838	59	8	hence	hence	ADV
bibechana-46838	59	9	near	near	ADP
bibechana-46838	59	10	the	the	DET
bibechana-46838	59	11	fermi	fermi	NOUN
bibechana-46838	59	12	level	level	NOUN
bibechana-46838	59	13	all	all	DET
bibechana-46838	59	14	bands	band	NOUN
bibechana-46838	59	15	are	be	AUX
bibechana-46838	59	16	dominated	dominate	VERB
bibechana-46838	59	17	.	.	PUNCT
bibechana-46838	60	1	while	while	SCONJ
bibechana-46838	60	2	,	,	PUNCT
bibechana-46838	60	3	in	in	ADP
bibechana-46838	60	4	the	the	DET
bibechana-46838	60	5	region	region	NOUN
bibechana-46838	60	6	above	above	ADP
bibechana-46838	60	7	the	the	DET
bibechana-46838	60	8	fermi	fermi	NOUN
bibechana-46838	60	9	level	level	NOUN
bibechana-46838	60	10	,	,	PUNCT
bibechana-46838	60	11	the	the	DET
bibechana-46838	60	12	contribution	contribution	NOUN
bibechana-46838	60	13	of	of	ADP
bibechana-46838	60	14	𝑠and	𝑠and	NOUN
bibechana-46838	60	15	𝑝-electrons	𝑝-electron	NOUN
bibechana-46838	60	16	is	be	AUX
bibechana-46838	60	17	dominant	dominant	ADJ
bibechana-46838	60	18	.	.	PUNCT
bibechana-46838	61	1	the	the	DET
bibechana-46838	61	2	band	band	NOUN
bibechana-46838	61	3	structure	structure	NOUN
bibechana-46838	61	4	was	be	AUX
bibechana-46838	61	5	generated	generate	VERB
bibechana-46838	61	6	for	for	ADP
bibechana-46838	61	7	major	major	ADJ
bibechana-46838	61	8	symmetry	symmetry	NOUN
bibechana-46838	61	9	points	point	NOUN
bibechana-46838	61	10	along	along	ADP
bibechana-46838	61	11	the	the	DET
bibechana-46838	61	12	path	path	NOUN
bibechana-46838	61	13	γ	γ	X
bibechana-46838	61	14	→	→	SYM
bibechana-46838	61	15	𝑋	𝑋	PROPN
bibechana-46838	61	16	→	→	SYM
bibechana-46838	61	17	𝑆	𝑆	PROPN
bibechana-46838	61	18	→	→	SYM
bibechana-46838	61	19	𝑅	𝑅	PROPN
bibechana-46838	61	20	→	→	SYM
bibechana-46838	61	21	𝐴	𝐴	PROPN
bibechana-46838	61	22	→	→	SYM
bibechana-46838	61	23	𝑍	𝑍	PROPN
bibechana-46838	61	24	→	→	SYM
bibechana-46838	61	25	γ	γ	X
bibechana-46838	61	26	→	→	SYM
bibechana-46838	61	27	𝑌	𝑌	PROPN
bibechana-46838	61	28	.	.	PUNCT
bibechana-46838	62	1	from	from	ADP
bibechana-46838	62	2	the	the	DET
bibechana-46838	62	3	nature	nature	NOUN
bibechana-46838	62	4	of	of	ADP
bibechana-46838	62	5	the	the	DET
bibechana-46838	62	6	dos	do	NOUN
bibechana-46838	62	7	,	,	PUNCT
bibechana-46838	62	8	show	show	VERB
bibechana-46838	62	9	deep	deep	ADJ
bibechana-46838	62	10	considerate	considerate	ADJ
bibechana-46838	62	11	to	to	PART
bibechana-46838	62	12	examine	examine	VERB
bibechana-46838	62	13	atomic	atomic	ADJ
bibechana-46838	62	14	bonding	bonding	NOUN
bibechana-46838	62	15	amongst	amongst	ADP
bibechana-46838	62	16	-uranium	-uranium	PROPN
bibechana-46838	62	17	molecules	molecule	NOUN
bibechana-46838	62	18	by	by	ADP
bibechana-46838	62	19	the	the	DET
bibechana-46838	62	20	electronic	electronic	ADJ
bibechana-46838	62	21	distributions	distribution	NOUN
bibechana-46838	62	22	.	.	PUNCT
bibechana-46838	63	1	figure	figure	VERB
bibechana-46838	63	2	4	4	NUM
bibechana-46838	63	3	shows	show	VERB
bibechana-46838	63	4	that	that	SCONJ
bibechana-46838	63	5	the	the	DET
bibechana-46838	63	6	𝑠and	𝑠and	NOUN
bibechana-46838	63	7	𝑝-electrons	𝑝-electron	NOUN
bibechana-46838	63	8	profound	profound	ADJ
bibechana-46838	63	9	into	into	ADP
bibechana-46838	63	10	the	the	DET
bibechana-46838	63	11	atomic	atomic	ADJ
bibechana-46838	63	12	core	core	NOUN
bibechana-46838	63	13	of	of	ADP
bibechana-46838	63	14	-uranium	-uranium	PROPN
bibechana-46838	63	15	,	,	PUNCT
bibechana-46838	63	16	which	which	PRON
bibechana-46838	63	17	is	be	AUX
bibechana-46838	63	18	not	not	PART
bibechana-46838	63	19	observed	observe	VERB
bibechana-46838	63	20	as	as	ADP
bibechana-46838	63	21	valence	valence	NOUN
bibechana-46838	63	22	electrons	electron	NOUN
bibechana-46838	63	23	.	.	PUNCT
bibechana-46838	64	1	hence	hence	ADV
bibechana-46838	64	2	,	,	PUNCT
bibechana-46838	64	3	such	such	ADJ
bibechana-46838	64	4	distribution	distribution	NOUN
bibechana-46838	64	5	shows	show	VERB
bibechana-46838	64	6	that	that	SCONJ
bibechana-46838	64	7	the	the	DET
bibechana-46838	64	8	typical	typical	ADJ
bibechana-46838	64	9	paw	paw	NOUN
bibechana-46838	64	10	potential	potential	NOUN
bibechana-46838	64	11	in	in	ADP
bibechana-46838	64	12	quantum	quantum	ADJ
bibechana-46838	64	13	espresso	espresso	NOUN
bibechana-46838	64	14	with	with	ADP
bibechana-46838	64	15	up	up	ADP
bibechana-46838	64	16	to	to	ADP
bibechana-46838	64	17	5𝑠	5𝑠	NOUN
bibechana-46838	64	18	and	and	CCONJ
bibechana-46838	64	19	5𝑝	5𝑝	ADJ
bibechana-46838	64	20	electrons	electron	NOUN
bibechana-46838	64	21	is	be	AUX
bibechana-46838	64	22	adequate	adequate	ADJ
bibechana-46838	64	23	.	.	PUNCT
bibechana-46838	65	1	besides	besides	SCONJ
bibechana-46838	65	2	,	,	PUNCT
bibechana-46838	65	3	the	the	DET
bibechana-46838	65	4	5𝑓	5𝑓	PROPN
bibechana-46838	65	5	-electrons	-electron	NOUN
bibechana-46838	65	6	governs	govern	VERB
bibechana-46838	65	7	near	near	ADP
bibechana-46838	65	8	the	the	DET
bibechana-46838	65	9	fermi	fermi	NOUN
bibechana-46838	65	10	energy	energy	NOUN
bibechana-46838	65	11	𝐸𝐹𝑒𝑟𝑚𝑖	𝐸𝐹𝑒𝑟𝑚𝑖	PROPN
bibechana-46838	65	12	amongst	amongst	ADP
bibechana-46838	65	13	all	all	DET
bibechana-46838	65	14	the	the	DET
bibechana-46838	65	15	electrons	electron	NOUN
bibechana-46838	65	16	.	.	PUNCT
bibechana-46838	66	1	aditya	aditya	PROPN
bibechana-46838	66	2	m.	m.	PROPN
bibechana-46838	66	3	vora	vora	PROPN
bibechana-46838	66	4	/	/	PUNCT
bibechana-46838	66	5	bibechana	bibechana	PROPN
bibechana-46838	66	6	19	19	NUM
bibechana-46838	66	7	(	(	PUNCT
bibechana-46838	66	8	1	1	NUM
bibechana-46838	66	9	-	-	SYM
bibechana-46838	66	10	2	2	NUM
bibechana-46838	66	11	)	)	PUNCT
bibechana-46838	66	12	(	(	PUNCT
bibechana-46838	66	13	2022	2022	NUM
bibechana-46838	66	14	)	)	PUNCT
bibechana-46838	66	15	208	208	NUM
bibechana-46838	66	16	-	-	SYM
bibechana-46838	66	17	213	213	NUM
bibechana-46838	66	18	211	211	NUM
bibechana-46838	66	19	fig	fig	NOUN
bibechana-46838	66	20	.	.	PUNCT
bibechana-46838	67	1	3	3	NUM
bibechana-46838	67	2	:	:	PUNCT
bibechana-46838	67	3	electronic	electronic	ADJ
bibechana-46838	67	4	band	band	NOUN
bibechana-46838	67	5	structure	structure	NOUN
bibechana-46838	67	6	of	of	ADP
bibechana-46838	67	7	α	α	NOUN
bibechana-46838	67	8	-	-	NOUN
bibechana-46838	67	9	uranium	uranium	NOUN
bibechana-46838	67	10	.	.	PUNCT
bibechana-46838	68	1	fig	fig	NOUN
bibechana-46838	68	2	.	.	PUNCT
bibechana-46838	69	1	4	4	NUM
bibechana-46838	69	2	:	:	PUNCT
bibechana-46838	69	3	total	total	ADJ
bibechana-46838	69	4	density	density	NOUN
bibechana-46838	69	5	of	of	ADP
bibechana-46838	69	6	states	state	NOUN
bibechana-46838	69	7	of	of	ADP
bibechana-46838	69	8	α	α	NOUN
bibechana-46838	69	9	-	-	NOUN
bibechana-46838	69	10	uranium	uranium	NOUN
bibechana-46838	69	11	.	.	PUNCT
bibechana-46838	70	1	fig	fig	NOUN
bibechana-46838	70	2	.	.	PUNCT
bibechana-46838	71	1	5	5	NUM
bibechana-46838	71	2	:	:	PUNCT
bibechana-46838	71	3	integrated	integrated	ADJ
bibechana-46838	71	4	density	density	NOUN
bibechana-46838	71	5	of	of	ADP
bibechana-46838	71	6	states	state	NOUN
bibechana-46838	71	7	of	of	ADP
bibechana-46838	71	8	αuranium	αuranium	NOUN
bibechana-46838	71	9	.	.	PUNCT
bibechana-46838	72	1	fig	fig	NOUN
bibechana-46838	72	2	.	.	PUNCT
bibechana-46838	73	1	6	6	NUM
bibechana-46838	73	2	:	:	PUNCT
bibechana-46838	73	3	partial	partial	ADJ
bibechana-46838	73	4	density	density	NOUN
bibechana-46838	73	5	of	of	ADP
bibechana-46838	73	6	states	state	NOUN
bibechana-46838	73	7	of	of	ADP
bibechana-46838	73	8	α	α	NOUN
bibechana-46838	73	9	-	-	NOUN
bibechana-46838	73	10	uranium	uranium	NOUN
bibechana-46838	73	11	.	.	PUNCT
bibechana-46838	74	1	the	the	DET
bibechana-46838	74	2	computed	compute	VERB
bibechana-46838	74	3	fermi	fermi	NOUN
bibechana-46838	74	4	surface	surface	NOUN
bibechana-46838	74	5	is	be	AUX
bibechana-46838	74	6	seen	see	VERB
bibechana-46838	74	7	in	in	ADP
bibechana-46838	74	8	figure	figure	NOUN
bibechana-46838	74	9	7	7	NUM
bibechana-46838	74	10	.	.	PUNCT
bibechana-46838	75	1	it	it	PRON
bibechana-46838	75	2	is	be	AUX
bibechana-46838	75	3	because	because	SCONJ
bibechana-46838	75	4	of	of	ADP
bibechana-46838	75	5	the	the	DET
bibechana-46838	75	6	restructuring	restructuring	NOUN
bibechana-46838	75	7	from	from	ADP
bibechana-46838	75	8	the	the	DET
bibechana-46838	75	9	charge	charge	NOUN
bibechana-46838	75	10	density	density	NOUN
bibechana-46838	75	11	waves	wave	NOUN
bibechana-46838	75	12	,	,	PUNCT
bibechana-46838	75	13	the	the	DET
bibechana-46838	75	14	lattice	lattice	NOUN
bibechana-46838	75	15	deviates	deviate	VERB
bibechana-46838	75	16	at	at	ADP
bibechana-46838	75	17	particular	particular	ADJ
bibechana-46838	75	18	sites	site	NOUN
bibechana-46838	75	19	and	and	CCONJ
bibechana-46838	75	20	higher	high	ADJ
bibechana-46838	75	21	sensitivity	sensitivity	NOUN
bibechana-46838	75	22	of	of	ADP
bibechana-46838	75	23	the	the	DET
bibechana-46838	75	24	computational	computational	ADJ
bibechana-46838	75	25	methodology	methodology	NOUN
bibechana-46838	75	26	.	.	PUNCT
bibechana-46838	76	1	fig	fig	NOUN
bibechana-46838	76	2	.	.	PUNCT
bibechana-46838	77	1	7	7	NUM
bibechana-46838	77	2	:	:	PUNCT
bibechana-46838	77	3	fermi	fermi	NOUN
bibechana-46838	77	4	surface	surface	NOUN
bibechana-46838	77	5	of	of	ADP
bibechana-46838	77	6	α	α	NOUN
bibechana-46838	77	7	-	-	NOUN
bibechana-46838	77	8	uranium	uranium	NOUN
bibechana-46838	77	9	.	.	PUNCT
bibechana-46838	78	1	5	5	X
bibechana-46838	78	2	.	.	X
bibechana-46838	78	3	conclusion	conclusion	NOUN
bibechana-46838	78	4	in	in	ADP
bibechana-46838	78	5	conclusion	conclusion	NOUN
bibechana-46838	78	6	,	,	PUNCT
bibechana-46838	78	7	we	we	PRON
bibechana-46838	78	8	studied	study	VERB
bibechana-46838	78	9	the	the	DET
bibechana-46838	78	10	electronic	electronic	ADJ
bibechana-46838	78	11	band	band	NOUN
bibechana-46838	78	12	structure	structure	NOUN
bibechana-46838	78	13	,	,	PUNCT
bibechana-46838	78	14	dos	do	NOUN
bibechana-46838	78	15	,	,	PUNCT
bibechana-46838	78	16	partial	partial	ADJ
bibechana-46838	78	17	dos	do	NOUN
bibechana-46838	78	18	,	,	PUNCT
bibechana-46838	78	19	integrated	integrate	VERB
bibechana-46838	78	20	dos	do	NOUN
bibechana-46838	78	21	and	and	CCONJ
bibechana-46838	78	22	the	the	DET
bibechana-46838	78	23	fermi	fermi	NOUN
bibechana-46838	78	24	surface	surface	NOUN
bibechana-46838	78	25	of	of	ADP
bibechana-46838	78	26	the	the	DET
bibechana-46838	78	27	-uranium	-uranium	PROPN
bibechana-46838	78	28	using	use	VERB
bibechana-46838	78	29	the	the	DET
bibechana-46838	78	30	gga	gga	NOUN
bibechana-46838	78	31	approach	approach	NOUN
bibechana-46838	78	32	with	with	ADP
bibechana-46838	78	33	paw	paw	PROPN
bibechana-46838	78	34	pseudopotential	pseudopotential	PROPN
bibechana-46838	78	35	under	under	ADP
bibechana-46838	78	36	dft	dft	PROPN
bibechana-46838	78	37	environment	environment	NOUN
bibechana-46838	78	38	.	.	PUNCT
bibechana-46838	79	1	the	the	DET
bibechana-46838	79	2	dominance	dominance	NOUN
bibechana-46838	79	3	of	of	ADP
bibechana-46838	79	4	5𝑓state	5𝑓state	NUM
bibechana-46838	79	5	is	be	AUX
bibechana-46838	79	6	observed	observe	VERB
bibechana-46838	79	7	nearby	nearby	ADV
bibechana-46838	79	8	the	the	DET
bibechana-46838	79	9	fermi	fermi	NOUN
bibechana-46838	79	10	level	level	NOUN
bibechana-46838	79	11	.	.	PUNCT
bibechana-46838	80	1	from	from	ADP
bibechana-46838	80	2	the	the	DET
bibechana-46838	80	3	overlapping	overlapping	NOUN
bibechana-46838	80	4	of	of	ADP
bibechana-46838	80	5	the	the	DET
bibechana-46838	80	6	energy	energy	NOUN
bibechana-46838	80	7	bands	band	NOUN
bibechana-46838	80	8	in	in	ADP
bibechana-46838	80	9	the	the	DET
bibechana-46838	80	10	band	band	NOUN
bibechana-46838	80	11	structure	structure	NOUN
bibechana-46838	80	12	near	near	ADP
bibechana-46838	80	13	the	the	DET
bibechana-46838	80	14	𝐸𝐹	𝐸𝐹	PROPN
bibechana-46838	80	15	,	,	PUNCT
bibechana-46838	80	16	the	the	DET
bibechana-46838	80	17	metallic	metallic	ADJ
bibechana-46838	80	18	character	character	NOUN
bibechana-46838	80	19	of	of	ADP
bibechana-46838	80	20	-uranium	-uranium	PROPN
bibechana-46838	80	21	is	be	AUX
bibechana-46838	80	22	confirmed	confirm	VERB
bibechana-46838	80	23	.	.	PUNCT
bibechana-46838	81	1	bibechana	bibechana	NOUN
bibechana-46838	81	2	19	19	NUM
bibechana-46838	81	3	(	(	PUNCT
bibechana-46838	81	4	1	1	NUM
bibechana-46838	81	5	-	-	SYM
bibechana-46838	81	6	2	2	NUM
bibechana-46838	81	7	)	)	PUNCT
bibechana-46838	81	8	(	(	PUNCT
bibechana-46838	81	9	2022	2022	NUM
bibechana-46838	81	10	)	)	PUNCT
bibechana-46838	81	11	208	208	NUM
bibechana-46838	81	12	-	-	SYM
bibechana-46838	81	13	213	213	NUM
bibechana-46838	81	14	212	212	NUM
bibechana-46838	81	15	acknowledgements	acknowledgement	NOUN
bibechana-46838	81	16	computer	computer	NOUN
bibechana-46838	81	17	facility	facility	NOUN
bibechana-46838	81	18	developed	develop	VERB
bibechana-46838	81	19	under	under	ADP
bibechana-46838	81	20	dst	dst	NOUN
bibechana-46838	81	21	-	-	PUNCT
bibechana-46838	81	22	fist	fist	NOUN
bibechana-46838	81	23	programme	programme	NOUN
bibechana-46838	81	24	from	from	ADP
bibechana-46838	81	25	department	department	NOUN
bibechana-46838	81	26	of	of	ADP
bibechana-46838	81	27	science	science	NOUN
bibechana-46838	81	28	and	and	CCONJ
bibechana-46838	81	29	technology	technology	NOUN
bibechana-46838	81	30	,	,	PUNCT
bibechana-46838	81	31	government	government	NOUN
bibechana-46838	81	32	of	of	ADP
bibechana-46838	81	33	india	india	PROPN
bibechana-46838	81	34	,	,	PUNCT
bibechana-46838	81	35	new	new	PROPN
bibechana-46838	81	36	delhi	delhi	PROPN
bibechana-46838	81	37	,	,	PUNCT
bibechana-46838	81	38	india	india	PROPN
bibechana-46838	81	39	and	and	CCONJ
bibechana-46838	81	40	financial	financial	ADJ
bibechana-46838	81	41	assistance	assistance	NOUN
bibechana-46838	81	42	under	under	ADP
bibechana-46838	81	43	drs	dr	NOUN
bibechana-46838	81	44	-	-	PUNCT
bibechana-46838	81	45	sapi	sapi	NOUN
bibechana-46838	81	46	from	from	ADP
bibechana-46838	81	47	university	university	NOUN
bibechana-46838	81	48	grants	grant	NOUN
bibechana-46838	81	49	commission	commission	PROPN
bibechana-46838	81	50	,	,	PUNCT
bibechana-46838	81	51	new	new	PROPN
bibechana-46838	81	52	delhi	delhi	PROPN
bibechana-46838	81	53	,	,	PUNCT
bibechana-46838	81	54	india	india	PROPN
bibechana-46838	81	55	is	be	AUX
bibechana-46838	81	56	highly	highly	ADV
bibechana-46838	81	57	acknowledged	acknowledge	VERB
bibechana-46838	81	58	by	by	ADP
bibechana-46838	81	59	the	the	DET
bibechana-46838	81	60	author	author	NOUN
bibechana-46838	81	61	.	.	PUNCT
bibechana-46838	82	1	references	reference	NOUN
bibechana-46838	82	2	[	[	X
bibechana-46838	82	3	1]j	1]j	X
bibechana-46838	82	4	.	.	PUNCT
bibechana-46838	83	1	w.	w.	PROPN
bibechana-46838	83	2	griffith	griffith	PROPN
bibechana-46838	83	3	,	,	PUNCT
bibechana-46838	83	4	the	the	DET
bibechana-46838	83	5	uranium	uranium	NOUN
bibechana-46838	83	6	industry	industry	NOUN
bibechana-46838	83	7	:	:	PUNCT
bibechana-46838	83	8	its	its	PRON
bibechana-46838	83	9	history	history	NOUN
bibechana-46838	83	10	,	,	PUNCT
bibechana-46838	83	11	technology	technology	NOUN
bibechana-46838	83	12	and	and	CCONJ
bibechana-46838	83	13	prospects	prospect	NOUN
bibechana-46838	83	14	,	,	PUNCT
bibechana-46838	83	15	mineral	mineral	NOUN
bibechana-46838	83	16	resources	resource	NOUN
bibechana-46838	83	17	division	division	NOUN
bibechana-46838	83	18	,	,	PUNCT
bibechana-46838	83	19	ottawa	ottawa	PROPN
bibechana-46838	83	20	,	,	PUNCT
bibechana-46838	83	21	canada	canada	PROPN
bibechana-46838	83	22	(	(	PUNCT
bibechana-46838	83	23	1967	1967	NUM
bibechana-46838	83	24	)	)	PUNCT
bibechana-46838	83	25	.	.	PUNCT
bibechana-46838	84	1	[	[	X
bibechana-46838	84	2	2]m	2]m	X
bibechana-46838	84	3	.	.	PUNCT
bibechana-46838	84	4	l.	l.	PROPN
bibechana-46838	84	5	rossi	rossi	PROPN
bibechana-46838	84	6	,	,	PUNCT
bibechana-46838	84	7	m.	m.	PROPN
bibechana-46838	84	8	d.	d.	PROPN
bibechana-46838	84	9	agostino	agostino	PROPN
bibechana-46838	84	10	,	,	PUNCT
bibechana-46838	84	11	j.	j.	PROPN
bibechana-46838	84	12	w.	w.	PROPN
bibechana-46838	84	13	nostrand	nostrand	PROPN
bibechana-46838	84	14	,	,	PUNCT
bibechana-46838	84	15	activation	activation	NOUN
bibechana-46838	84	16	research	research	NOUN
bibechana-46838	84	17	in	in	ADP
bibechana-46838	84	18	the	the	DET
bibechana-46838	84	19	aerospace	aerospace	NOUN
bibechana-46838	84	20	industry	industry	NOUN
bibechana-46838	84	21	,	,	PUNCT
bibechana-46838	84	22	bethpage	bethpage	NOUN
bibechana-46838	84	23	,	,	PUNCT
bibechana-46838	84	24	new	new	PROPN
bibechana-46838	84	25	york	york	PROPN
bibechana-46838	84	26	(	(	PUNCT
bibechana-46838	84	27	1961	1961	NUM
bibechana-46838	84	28	)	)	PUNCT
bibechana-46838	84	29	.	.	PUNCT
bibechana-46838	85	1	[	[	X
bibechana-46838	85	2	3]p	3]p	NUM
bibechana-46838	85	3	.	.	PUNCT
bibechana-46838	85	4	c.	c.	NOUN
bibechana-46838	85	5	burns	burn	NOUN
bibechana-46838	85	6	,	,	PUNCT
bibechana-46838	85	7	the	the	DET
bibechana-46838	85	8	crystal	crystal	NOUN
bibechana-46838	85	9	chemistry	chemistry	NOUN
bibechana-46838	85	10	of	of	ADP
bibechana-46838	85	11	uranium	uranium	NOUN
bibechana-46838	85	12	,	,	PUNCT
bibechana-46838	85	13	rev	rev	PROPN
bibechana-46838	85	14	.	.	PROPN
bibechana-46838	85	15	miner	miner	PROPN
bibechana-46838	85	16	.	.	PUNCT
bibechana-46838	86	1	geochem	geochem	PROPN
bibechana-46838	86	2	.	.	PUNCT
bibechana-46838	87	1	38(1	38(1	X
bibechana-46838	87	2	)	)	PUNCT
bibechana-46838	87	3	(	(	PUNCT
bibechana-46838	87	4	1999	1999	NUM
bibechana-46838	87	5	)	)	PUNCT
bibechana-46838	87	6	23–90	23–90	NUM
bibechana-46838	87	7	.	.	PUNCT
bibechana-46838	88	1	https://doi.org/10.1515/9781501509193-007	https://doi.org/10.1515/9781501509193-007	NOUN
bibechana-46838	88	2	[	[	X
bibechana-46838	88	3	4]c	4]c	NUM
bibechana-46838	88	4	.	.	PUNCT
bibechana-46838	89	1	s.	s.	PROPN
bibechana-46838	89	2	barrett	barrett	PROPN
bibechana-46838	89	3	,	,	PUNCT
bibechana-46838	89	4	m.	m.	PROPN
bibechana-46838	89	5	h.	h.	PROPN
bibechana-46838	89	6	mueller	mueller	PROPN
bibechana-46838	89	7	,	,	PUNCT
bibechana-46838	89	8	r.	r.	PROPN
bibechana-46838	89	9	l.	l.	PROPN
bibechana-46838	89	10	hitterman	hitterman	PROPN
bibechana-46838	89	11	,	,	PUNCT
bibechana-46838	89	12	crystal	crystal	NOUN
bibechana-46838	89	13	structure	structure	NOUN
bibechana-46838	89	14	variations	variation	NOUN
bibechana-46838	89	15	in	in	ADP
bibechana-46838	89	16	alpha	alpha	NOUN
bibechana-46838	89	17	uranium	uranium	NOUN
bibechana-46838	89	18	at	at	ADP
bibechana-46838	89	19	low	low	ADJ
bibechana-46838	89	20	temperatures	temperature	NOUN
bibechana-46838	89	21	,	,	PUNCT
bibechana-46838	89	22	phys	phy	NOUN
bibechana-46838	89	23	.	.	PUNCT
bibechana-46838	89	24	rev	rev	PROPN
bibechana-46838	89	25	.	.	PROPN
bibechana-46838	89	26	129(2	129(2	NUM
bibechana-46838	89	27	)	)	PUNCT
bibechana-46838	89	28	(	(	PUNCT
bibechana-46838	89	29	1963	1963	NUM
bibechana-46838	89	30	)	)	PUNCT
bibechana-46838	89	31	625–629	625–629	NUM
bibechana-46838	89	32	.	.	PUNCT
bibechana-46838	89	33	https://doi.org/10.1103/physrev.129.625	https://doi.org/10.1103/physrev.129.625	PROPN
bibechana-46838	90	1	[	[	X
bibechana-46838	90	2	5]d	5]d	PROPN
bibechana-46838	90	3	.	.	PUNCT
bibechana-46838	90	4	e.	e.	PROPN
bibechana-46838	90	5	smirnova	smirnova	PROPN
bibechana-46838	90	6	,	,	PUNCT
bibechana-46838	90	7	s.	s.	PROPN
bibechana-46838	90	8	v.	v.	PROPN
bibechana-46838	90	9	starikov	starikov	PROPN
bibechana-46838	90	10	,	,	PUNCT
bibechana-46838	90	11	v.	v.	PROPN
bibechana-46838	90	12	stegailov	stegailov	PROPN
bibechana-46838	90	13	,	,	PUNCT
bibechana-46838	90	14	new	new	ADJ
bibechana-46838	90	15	inter	inter	ADJ
bibechana-46838	90	16	atomic	atomic	ADJ
bibechana-46838	90	17	potential	potential	NOUN
bibechana-46838	90	18	for	for	ADP
bibechana-46838	90	19	computation	computation	NOUN
bibechana-46838	90	20	of	of	ADP
bibechana-46838	90	21	mechanical	mechanical	ADJ
bibechana-46838	90	22	and	and	CCONJ
bibechana-46838	90	23	thermodynamic	thermodynamic	ADJ
bibechana-46838	90	24	properties	property	NOUN
bibechana-46838	90	25	of	of	ADP
bibechana-46838	90	26	uranium	uranium	NOUN
bibechana-46838	90	27	in	in	ADP
bibechana-46838	90	28	a	a	DET
bibechana-46838	90	29	wide	wide	ADJ
bibechana-46838	90	30	range	range	NOUN
bibechana-46838	90	31	of	of	ADP
bibechana-46838	90	32	pressures	pressure	NOUN
bibechana-46838	90	33	and	and	CCONJ
bibechana-46838	90	34	temperatures	temperature	NOUN
bibechana-46838	90	35	,	,	PUNCT
bibechana-46838	90	36	the	the	DET
bibechana-46838	90	37	phys	phy	NOUN
bibechana-46838	90	38	.	.	PUNCT
bibechana-46838	90	39	metals	metal	NOUN
bibechana-46838	90	40	metall	metall	PROPN
bibechana-46838	90	41	.	.	PUNCT
bibechana-46838	91	1	113(2012	113(2012	NUM
bibechana-46838	91	2	)	)	PUNCT
bibechana-46838	91	3	107–116	107–116	NUM
bibechana-46838	91	4	.	.	PUNCT
bibechana-46838	92	1	https://doi.org/10.1134/s0031918x12020147	https://doi.org/10.1134/s0031918x12020147	PUNCT
bibechana-46838	93	1	[	[	X
bibechana-46838	93	2	6]huang	6]huang	NUM
bibechana-46838	93	3	shan	shan	ADJ
bibechana-46838	93	4	-	-	PUNCT
bibechana-46838	93	5	qisong	qisong	PROPN
bibechana-46838	93	6	,	,	PUNCT
bibechana-46838	93	7	ju	ju	PROPN
bibechana-46838	93	8	xue	xue	PROPN
bibechana-46838	93	9	-	-	PUNCT
bibechana-46838	93	10	hai	hai	PROPN
bibechana-46838	93	11	,	,	PUNCT
bibechana-46838	93	12	firstprinciples	firstprinciple	VERB
bibechana-46838	93	13	study	study	NOUN
bibechana-46838	93	14	of	of	ADP
bibechana-46838	93	15	properties	property	NOUN
bibechana-46838	93	16	of	of	ADP
bibechana-46838	93	17	alpha	alpha	NOUN
bibechana-46838	93	18	uranium	uranium	NOUN
bibechana-46838	93	19	crystal	crystal	NOUN
bibechana-46838	93	20	and	and	CCONJ
bibechana-46838	93	21	seven	seven	NUM
bibechana-46838	93	22	alpha	alpha	NOUN
bibechana-46838	93	23	uranium	uranium	NOUN
bibechana-46838	93	24	surfaces	surface	NOUN
bibechana-46838	93	25	,	,	PUNCT
bibechana-46838	93	26	hindawi	hindawi	ADJ
bibechana-46838	93	27	j.	j.	PROPN
bibechana-46838	93	28	chem	chem	PROPN
bibechana-46838	93	29	.	.	PUNCT
bibechana-46838	93	30	,	,	PUNCT
bibechana-46838	93	31	2017	2017	NUM
bibechana-46838	93	32	,	,	PUNCT
bibechana-46838	93	33	7	7	NUM
bibechana-46838	93	34	pages	page	NOUN
bibechana-46838	93	35	.	.	PUNCT
bibechana-46838	94	1	https://doi.org/10.1155/2017/8618340	https://doi.org/10.1155/2017/8618340	PROPN
bibechana-46838	95	1	[	[	X
bibechana-46838	95	2	7]jintao	7]jintao	PROPN
bibechana-46838	95	3	wang	wang	PROPN
bibechana-46838	95	4	et	et	PROPN
bibechana-46838	95	5	al	al	PROPN
bibechana-46838	95	6	.	.	PROPN
bibechana-46838	95	7	,	,	PUNCT
bibechana-46838	95	8	first	first	ADJ
bibechana-46838	95	9	-	-	PUNCT
bibechana-46838	95	10	principles	principle	NOUN
bibechana-46838	95	11	study	study	NOUN
bibechana-46838	95	12	on	on	ADP
bibechana-46838	95	13	the	the	DET
bibechana-46838	95	14	thermodynamic	thermodynamic	ADJ
bibechana-46838	95	15	defect	defect	NOUN
bibechana-46838	95	16	and	and	CCONJ
bibechana-46838	95	17	crystal	crystal	NOUN
bibechana-46838	95	18	structure	structure	NOUN
bibechana-46838	95	19	of	of	ADP
bibechana-46838	95	20	u-12.5	u-12.5	ADJ
bibechana-46838	95	21	at%	at%	PROPN
bibechana-46838	95	22	nb	nb	INTJ
bibechana-46838	95	23	alloy	alloy	NOUN
bibechana-46838	95	24	,	,	PUNCT
bibechana-46838	95	25	int	int	NOUN
bibechana-46838	95	26	.	.	PUNCT
bibechana-46838	96	1	j.	j.	PROPN
bibechana-46838	96	2	heat	heat	PROPN
bibechana-46838	96	3	and	and	CCONJ
bibechana-46838	96	4	tech	tech	NOUN
bibechana-46838	96	5	.	.	PUNCT
bibechana-46838	97	1	33(1	33(1	NUM
bibechana-46838	97	2	)	)	PUNCT
bibechana-46838	97	3	(	(	PUNCT
bibechana-46838	97	4	2015	2015	NUM
bibechana-46838	97	5	)	)	PUNCT
bibechana-46838	97	6	175	175	NUM
bibechana-46838	97	7	-	-	SYM
bibechana-46838	97	8	180	180	NUM
bibechana-46838	97	9	.	.	PUNCT
bibechana-46838	97	10	https://doi.org/10.18280/ijht.330124	https://doi.org/10.18280/ijht.330124	PROPN
bibechana-46838	98	1	[	[	X
bibechana-46838	98	2	8]m	8]m	NUM
bibechana-46838	98	3	.	.	PUNCT
bibechana-46838	99	1	d.	d.	PROPN
bibechana-46838	99	2	segall	segall	PROPN
bibechana-46838	99	3	et	et	PROPN
bibechana-46838	99	4	al	al	PROPN
bibechana-46838	99	5	.	.	PROPN
bibechana-46838	99	6	,	,	PUNCT
bibechana-46838	99	7	population	population	NOUN
bibechana-46838	99	8	analysis	analysis	NOUN
bibechana-46838	99	9	of	of	ADP
bibechana-46838	99	10	plane	plane	NOUN
bibechana-46838	99	11	-	-	PUNCT
bibechana-46838	99	12	wave	wave	NOUN
bibechana-46838	99	13	electronic	electronic	ADJ
bibechana-46838	99	14	structure	structure	NOUN
bibechana-46838	99	15	calculations	calculation	NOUN
bibechana-46838	99	16	of	of	ADP
bibechana-46838	99	17	bulk	bulk	ADJ
bibechana-46838	99	18	materials	material	NOUN
bibechana-46838	99	19	,	,	PUNCT
bibechana-46838	99	20	phys	phy	NOUN
bibechana-46838	99	21	rev	rev	VERB
bibechana-46838	99	22	b54(23	b54(23	NOUN
bibechana-46838	99	23	)	)	PUNCT
bibechana-46838	99	24	(	(	PUNCT
bibechana-46838	99	25	1996	1996	NUM
bibechana-46838	99	26	)	)	PUNCT
bibechana-46838	99	27	16317	16317	NUM
bibechana-46838	99	28	-	-	SYM
bibechana-46838	99	29	16320	16320	NUM
bibechana-46838	99	30	.	.	PUNCT
bibechana-46838	100	1	https://doi.org/10.1103/physrevb.54.16317	https://doi.org/10.1103/physrevb.54.16317	PROPN
bibechana-46838	101	1	[	[	X
bibechana-46838	101	2	9]t	9]t	NUM
bibechana-46838	101	3	.	.	PUNCT
bibechana-46838	101	4	zergoug	zergoug	PROPN
bibechana-46838	101	5	et	et	PROPN
bibechana-46838	101	6	al	al	PROPN
bibechana-46838	101	7	.	.	PROPN
bibechana-46838	101	8	,	,	PUNCT
bibechana-46838	101	9	physical	physical	ADJ
bibechana-46838	101	10	properties	property	NOUN
bibechana-46838	101	11	of	of	ADP
bibechana-46838	101	12	uranium	uranium	NOUN
bibechana-46838	101	13	dinitride	dinitride	NOUN
bibechana-46838	101	14	un2	un2	NOUN
bibechana-46838	101	15	by	by	ADP
bibechana-46838	101	16	using	use	VERB
bibechana-46838	101	17	density	density	NOUN
bibechana-46838	101	18	functional	functional	ADJ
bibechana-46838	101	19	theory	theory	NOUN
bibechana-46838	101	20	(	(	PUNCT
bibechana-46838	101	21	dft	dft	PROPN
bibechana-46838	101	22	and	and	CCONJ
bibechana-46838	101	23	dft+u	dft+u	PROPN
bibechana-46838	101	24	)	)	PUNCT
bibechana-46838	101	25	,	,	PUNCT
bibechana-46838	101	26	inter	inter	PROPN
bibechana-46838	101	27	.	.	PUNCT
bibechana-46838	102	1	scho	scho	PROPN
bibechana-46838	102	2	.	.	PUNCT
bibechana-46838	103	1	scien	scien	PROPN
bibechana-46838	103	2	.	.	PUNCT
bibechana-46838	104	1	res	re	NOUN
bibechana-46838	104	2	.	.	PUNCT
bibechana-46838	105	1	innov	innov	PROPN
bibechana-46838	105	2	.	.	PUNCT
bibechana-46838	106	1	9(1	9(1	NUM
bibechana-46838	106	2	)	)	PUNCT
bibechana-46838	106	3	(	(	PUNCT
bibechana-46838	106	4	2015	2015	NUM
bibechana-46838	106	5	)	)	PUNCT
bibechana-46838	106	6	175	175	NUM
bibechana-46838	106	7	-	-	SYM
bibechana-46838	106	8	179	179	NUM
bibechana-46838	106	9	.	.	PUNCT
bibechana-46838	107	1	doi.org/10.5281/zenodo.1099362	doi.org/10.5281/zenodo.1099362	VERB
bibechana-46838	108	1	[	[	X
bibechana-46838	108	2	10]a	10]a	NUM
bibechana-46838	108	3	.	.	PUNCT
bibechana-46838	108	4	n.	n.	PROPN
bibechana-46838	108	5	chantis	chantis	PROPN
bibechana-46838	108	6	,	,	PUNCT
bibechana-46838	108	7	et	et	PROPN
bibechana-46838	108	8	al	al	PROPN
bibechana-46838	108	9	.	.	PROPN
bibechana-46838	108	10	,	,	PUNCT
bibechana-46838	108	11	many	many	ADJ
bibechana-46838	108	12	-	-	PUNCT
bibechana-46838	108	13	body	body	NOUN
bibechana-46838	108	14	electronic	electronic	ADJ
bibechana-46838	108	15	structure	structure	NOUN
bibechana-46838	108	16	of	of	ADP
bibechana-46838	108	17	metallic	metallic	ADJ
bibechana-46838	108	18	α	α	NOUN
bibechana-46838	108	19	-	-	NOUN
bibechana-46838	108	20	uranium	uranium	NOUN
bibechana-46838	108	21	,	,	PUNCT
bibechana-46838	108	22	phys	phy	NOUN
bibechana-46838	108	23	.	.	PUNCT
bibechana-46838	109	1	rev	rev	PROPN
bibechana-46838	109	2	.	.	PROPN
bibechana-46838	109	3	b78	b78	PROPN
bibechana-46838	109	4	(	(	PUNCT
bibechana-46838	109	5	2008	2008	NUM
bibechana-46838	109	6	)	)	PUNCT
bibechana-46838	109	7	081101r	081101r	NUM
bibechana-46838	109	8	.	.	PUNCT
bibechana-46838	110	1	https://doi.org/10.1103/physrevb.78.081101	https://doi.org/10.1103/physrevb.78.081101	X
bibechana-46838	111	1	[	[	X
bibechana-46838	111	2	11]b	11]b	NUM
bibechana-46838	111	3	.	.	PUNCT
bibechana-46838	111	4	beeler	beeler	PROPN
bibechana-46838	111	5	et	et	PROPN
bibechana-46838	111	6	al	al	PROPN
bibechana-46838	111	7	.	.	PROPN
bibechana-46838	111	8	,	,	PUNCT
bibechana-46838	111	9	first	first	ADV
bibechana-46838	111	10	principles	principle	VERB
bibechana-46838	111	11	calculations	calculation	NOUN
bibechana-46838	111	12	of	of	ADP
bibechana-46838	111	13	the	the	DET
bibechana-46838	111	14	structure	structure	NOUN
bibechana-46838	111	15	and	and	CCONJ
bibechana-46838	111	16	elastic	elastic	ADJ
bibechana-46838	111	17	constants	constant	NOUN
bibechana-46838	111	18	of	of	ADP
bibechana-46838	111	19	α	α	NOUN
bibechana-46838	111	20	,	,	PUNCT
bibechana-46838	111	21	β	β	X
bibechana-46838	111	22	and	and	CCONJ
bibechana-46838	111	23	γ	γ	PROPN
bibechana-46838	111	24	uranium	uranium	NOUN
bibechana-46838	111	25	,	,	PUNCT
bibechana-46838	111	26	j.	j.	PROPN
bibechana-46838	111	27	nucl	nucl	PROPN
bibechana-46838	111	28	.	.	PUNCT
bibechana-46838	112	1	mater	mater	PROPN
bibechana-46838	112	2	.	.	PUNCT
bibechana-46838	113	1	433	433	NUM
bibechana-46838	113	2	(	(	PUNCT
bibechana-46838	113	3	2013	2013	NUM
bibechana-46838	113	4	)	)	PUNCT
bibechana-46838	113	5	143	143	NUM
bibechana-46838	113	6	-	-	SYM
bibechana-46838	113	7	151	151	NUM
bibechana-46838	113	8	.	.	PUNCT
bibechana-46838	114	1	https://doi.org/10.1016/j.jnucmat.2012.09.019	https://doi.org/10.1016/j.jnucmat.2012.09.019	PRON
bibechana-46838	115	1	[	[	X
bibechana-46838	115	2	12]w	12]w	NUM
bibechana-46838	115	3	.	.	PUNCT
bibechana-46838	116	1	p.	p.	NOUN
bibechana-46838	116	2	crummett	crummett	PROPN
bibechana-46838	116	3	et	et	PROPN
bibechana-46838	117	1	al	al	PROPN
bibechana-46838	117	2	.	.	PROPN
bibechana-46838	117	3	,	,	PUNCT
bibechana-46838	117	4	lattice	lattice	NOUN
bibechana-46838	117	5	dynamics	dynamic	NOUN
bibechana-46838	117	6	of	of	ADP
bibechana-46838	117	7	α	α	NOUN
bibechana-46838	117	8	-	-	NOUN
bibechana-46838	117	9	uranium	uranium	NOUN
bibechana-46838	117	10	,	,	PUNCT
bibechana-46838	117	11	phys	phy	NOUN
bibechana-46838	117	12	.	.	PUNCT
bibechana-46838	118	1	rev	rev	PROPN
bibechana-46838	118	2	.	.	PROPN
bibechana-46838	118	3	b19(12	b19(12	PROPN
bibechana-46838	118	4	)	)	PUNCT
bibechana-46838	118	5	(	(	PUNCT
bibechana-46838	118	6	1979	1979	NUM
bibechana-46838	118	7	)	)	PUNCT
bibechana-46838	118	8	60286037	60286037	NUM
bibechana-46838	118	9	.	.	PUNCT
bibechana-46838	119	1	https://doi.org/10.1103/physrevb.19.6028	https://doi.org/10.1103/physrevb.19.6028	PROPN
bibechana-46838	120	1	[	[	X
bibechana-46838	120	2	13]qiu	13]qiu	NUM
bibechana-46838	120	3	-	-	PUNCT
bibechana-46838	120	4	yun	yun	NOUN
bibechana-46838	120	5	chen	chen	PROPN
bibechana-46838	120	6	et	et	PROPN
bibechana-46838	120	7	al	al	PROPN
bibechana-46838	120	8	.	.	PROPN
bibechana-46838	120	9	,	,	PUNCT
bibechana-46838	120	10	first	first	ADJ
bibechana-46838	120	11	-	-	PUNCT
bibechana-46838	120	12	principles	principle	NOUN
bibechana-46838	120	13	study	study	NOUN
bibechana-46838	120	14	of	of	ADP
bibechana-46838	120	15	the	the	DET
bibechana-46838	120	16	elastic	elastic	ADJ
bibechana-46838	120	17	constants	constant	NOUN
bibechana-46838	120	18	and	and	CCONJ
bibechana-46838	120	19	optical	optical	ADJ
bibechana-46838	120	20	properties	property	NOUN
bibechana-46838	120	21	of	of	ADP
bibechana-46838	120	22	uranium	uranium	NOUN
bibechana-46838	120	23	metal	metal	NOUN
bibechana-46838	120	24	,	,	PUNCT
bibechana-46838	120	25	chin	chin	NOUN
bibechana-46838	120	26	.	.	PUNCT
bibechana-46838	121	1	phys	phys	PROPN
bibechana-46838	121	2	.	.	PUNCT
bibechana-46838	122	1	b21(8	b21(8	PROPN
bibechana-46838	122	2	)	)	PUNCT
bibechana-46838	122	3	(	(	PUNCT
bibechana-46838	122	4	2012	2012	NUM
bibechana-46838	122	5	)	)	PUNCT
bibechana-46838	122	6	087801(1	087801(1	NOUN
bibechana-46838	122	7	-	-	ADJ
bibechana-46838	122	8	8)	8)	NUM
bibechana-46838	122	9	.	.	PUNCT
bibechana-46838	122	10	https://doi.org/10.1088/16741056/21/8/087801	https://doi.org/10.1088/16741056/21/8/087801	X
bibechana-46838	123	1	[	[	X
bibechana-46838	123	2	14]y	14]y	NUM
bibechana-46838	123	3	.	.	PUNCT
bibechana-46838	123	4	k.	k.	PROPN
bibechana-46838	123	5	vohra	vohra	PROPN
bibechana-46838	123	6	,	,	PUNCT
bibechana-46838	123	7	p.	p.	NOUN
bibechana-46838	123	8	t.	t.	PROPN
bibechana-46838	123	9	spencer	spencer	PROPN
bibechana-46838	123	10	,	,	PUNCT
bibechana-46838	123	11	novel	novel	ADJ
bibechana-46838	123	12	-phase	-phase	X
bibechana-46838	123	13	of	of	ADP
bibechana-46838	123	14	titanium	titanium	NOUN
bibechana-46838	123	15	metal	metal	NOUN
bibechana-46838	123	16	at	at	ADP
bibechana-46838	123	17	megabar	megabar	ADJ
bibechana-46838	123	18	pressures	pressure	NOUN
bibechana-46838	123	19	,	,	PUNCT
bibechana-46838	123	20	phys	phy	NOUN
bibechana-46838	123	21	.	.	PUNCT
bibechana-46838	123	22	rev	rev	PROPN
bibechana-46838	123	23	.	.	PROPN
bibechana-46838	123	24	lett	lett	PROPN
bibechana-46838	123	25	.	.	PUNCT
bibechana-46838	124	1	86	86	NUM
bibechana-46838	124	2	(	(	PUNCT
bibechana-46838	124	3	14	14	NUM
bibechana-46838	124	4	)	)	PUNCT
bibechana-46838	124	5	(	(	PUNCT
bibechana-46838	124	6	2001	2001	NUM
bibechana-46838	124	7	)	)	PUNCT
bibechana-46838	124	8	3068	3068	NUM
bibechana-46838	124	9	-	-	SYM
bibechana-46838	124	10	3071	3071	NUM
bibechana-46838	124	11	.	.	PUNCT
bibechana-46838	124	12	https://doi.org/10.1103/physrevlett.86.3068	https://doi.org/10.1103/physrevlett.86.3068	PROPN
bibechana-46838	125	1	[	[	X
bibechana-46838	125	2	15]r	15]r	NUM
bibechana-46838	125	3	.	.	PUNCT
bibechana-46838	125	4	m.	m.	NOUN
bibechana-46838	125	5	wentzcovitch	wentzcovitch	PROPN
bibechana-46838	125	6	,	,	PUNCT
bibechana-46838	125	7	m.	m.	PROPN
bibechana-46838	125	8	l.	l.	PROPN
bibechana-46838	125	9	cohen	cohen	PROPN
bibechana-46838	125	10	,	,	PUNCT
bibechana-46838	125	11	theoretical	theoretical	ADJ
bibechana-46838	125	12	model	model	NOUN
bibechana-46838	125	13	for	for	ADP
bibechana-46838	125	14	the	the	DET
bibechana-46838	125	15	hcp	hcp	PROPN
bibechana-46838	125	16	-	-	PUNCT
bibechana-46838	125	17	bcc	bcc	PROPN
bibechana-46838	125	18	transition	transition	NOUN
bibechana-46838	125	19	in	in	ADP
bibechana-46838	125	20	mg	mg	PROPN
bibechana-46838	125	21	,	,	PUNCT
bibechana-46838	125	22	phys	phy	NOUN
bibechana-46838	125	23	.	.	PUNCT
bibechana-46838	126	1	rev	rev	PROPN
bibechana-46838	126	2	.	.	PROPN
bibechana-46838	126	3	b37(10	b37(10	PROPN
bibechana-46838	126	4	)	)	PUNCT
bibechana-46838	126	5	(	(	PUNCT
bibechana-46838	126	6	1987	1987	NUM
bibechana-46838	126	7	)	)	PUNCT
bibechana-46838	126	8	5571	5571	NUM
bibechana-46838	126	9	-	-	SYM
bibechana-46838	126	10	5576	5576	NUM
bibechana-46838	126	11	.	.	PUNCT
bibechana-46838	127	1	https://doi.org/10.1103/physrevb.37.5571	https://doi.org/10.1103/physrevb.37.5571	PROPN
bibechana-46838	128	1	[	[	X
bibechana-46838	128	2	16]m	16]m	NUM
bibechana-46838	128	3	.	.	PUNCT
bibechana-46838	129	1	lachheb	lachheb	ADJ
bibechana-46838	129	2	et	et	PROPN
bibechana-46838	129	3	al	al	PROPN
bibechana-46838	129	4	.	.	PROPN
bibechana-46838	129	5	,	,	PUNCT
bibechana-46838	129	6	thermal	thermal	ADJ
bibechana-46838	129	7	conductivity	conductivity	NOUN
bibechana-46838	129	8	enhancement	enhancement	NOUN
bibechana-46838	129	9	of	of	ADP
bibechana-46838	129	10	lino3	lino3	PROPN
bibechana-46838	129	11	/	/	SYM
bibechana-46838	129	12	graphite	graphite	NOUN
bibechana-46838	129	13	composite	composite	NOUN
bibechana-46838	129	14	for	for	ADP
bibechana-46838	129	15	energy	energy	NOUN
bibechana-46838	129	16	storage	storage	NOUN
bibechana-46838	129	17	,	,	PUNCT
bibechana-46838	129	18	int	int	NOUN
bibechana-46838	129	19	.	.	PUNCT
bibechana-46838	130	1	j.	j.	PROPN
bibechana-46838	130	2	heat	heat	PROPN
bibechana-46838	130	3	tech	tech	PROPN
bibechana-46838	130	4	.	.	PUNCT
bibechana-46838	131	1	31(2	31(2	NUM
bibechana-46838	131	2	)	)	PUNCT
bibechana-46838	131	3	(	(	PUNCT
bibechana-46838	131	4	2013	2013	NUM
bibechana-46838	131	5	)	)	PUNCT
bibechana-46838	131	6	9	9	NUM
bibechana-46838	131	7	-	-	SYM
bibechana-46838	131	8	16	16	NUM
bibechana-46838	131	9	.	.	PUNCT
bibechana-46838	132	1	https://doi.org/10.18280/ijht.310202	https://doi.org/10.18280/ijht.310202	NOUN
bibechana-46838	133	1	[	[	X
bibechana-46838	133	2	17]v	17]v	NUM
bibechana-46838	133	3	.	.	PUNCT
bibechana-46838	133	4	b.	b.	PROPN
bibechana-46838	133	5	parmar	parmar	PROPN
bibechana-46838	133	6	,	,	PUNCT
bibechana-46838	133	7	a.m.	a.m.	PROPN
bibechana-46838	133	8	vora	vora	PROPN
bibechana-46838	133	9	,	,	PUNCT
bibechana-46838	133	10	study	study	NOUN
bibechana-46838	133	11	of	of	ADP
bibechana-46838	133	12	structural	structural	ADJ
bibechana-46838	133	13	and	and	CCONJ
bibechana-46838	133	14	electronic	electronic	ADJ
bibechana-46838	133	15	properties	property	NOUN
bibechana-46838	133	16	of	of	ADP
bibechana-46838	133	17	intercalated	intercalated	ADJ
bibechana-46838	133	18	transition	transition	NOUN
bibechana-46838	133	19	metal	metal	NOUN
bibechana-46838	133	20	dichalcogenides	dichalcogenide	NOUN
bibechana-46838	133	21	compound	compound	VERB
bibechana-46838	133	22	mtis2	mtis2	NOUN
bibechana-46838	134	1	(	(	PUNCT
bibechana-46838	134	2	m	m	PROPN
bibechana-46838	134	3	=	=	SYM
bibechana-46838	134	4	cr	cr	PROPN
bibechana-46838	134	5	,	,	PUNCT
bibechana-46838	134	6	mn	mn	PROPN
bibechana-46838	134	7	,	,	PUNCT
bibechana-46838	134	8	fe	fe	X
bibechana-46838	134	9	)	)	PUNCT
bibechana-46838	134	10	by	by	ADP
bibechana-46838	134	11	density	density	NOUN
bibechana-46838	134	12	functional	functional	ADJ
bibechana-46838	134	13	theory	theory	NOUN
bibechana-46838	134	14	,	,	PUNCT
bibechana-46838	134	15	east	east	PROPN
bibechana-46838	134	16	eur	eur	PROPN
bibechana-46838	134	17	.	.	PUNCT
bibechana-46838	135	1	j.	j.	PROPN
bibechana-46838	135	2	phys	phys	PROPN
bibechana-46838	135	3	.	.	PUNCT
bibechana-46838	136	1	1	1	NUM
bibechana-46838	136	2	(	(	PUNCT
bibechana-46838	136	3	2021	2021	NUM
bibechana-46838	136	4	)	)	PUNCT
bibechana-46838	136	5	https://doi.org/10.1515/9781501509193-007	https://doi.org/10.1515/9781501509193-007	PROPN
bibechana-46838	136	6	https://doi.org/10.1103/physrev.129.625	https://doi.org/10.1103/physrev.129.625	CCONJ
bibechana-46838	136	7	https://doi.org/10.1134/s0031918x12020147	https://doi.org/10.1134/s0031918x12020147	PROPN
bibechana-46838	136	8	https://doi.org/10.1155/2017/8618340	https://doi.org/10.1155/2017/8618340	VERB
bibechana-46838	136	9	https://doi.org/10.18280/ijht.330124	https://doi.org/10.18280/ijht.330124	PROPN
bibechana-46838	136	10	https://doi.org/10.1103/physrevb.54.16317	https://doi.org/10.1103/physrevb.54.16317	ADJ
bibechana-46838	136	11	https://doi.org/10.5281/zenodo.1099362	https://doi.org/10.5281/zenodo.1099362	ADJ
bibechana-46838	136	12	https://doi.org/10.1103/physrevb.78.081101	https://doi.org/10.1103/physrevb.78.081101	NOUN
bibechana-46838	136	13	https://doi.org/10.1016/j.jnucmat.2012.09.019	https://doi.org/10.1016/j.jnucmat.2012.09.019	VERB
bibechana-46838	136	14	https://doi.org/10.1103/physrevb.19.6028	https://doi.org/10.1103/physrevb.19.6028	NOUN
bibechana-46838	136	15	https://doi.org/10.1088/1674-1056/21/8/087801	https://doi.org/10.1088/1674-1056/21/8/087801	PROPN
bibechana-46838	136	16	https://doi.org/10.1088/1674-1056/21/8/087801	https://doi.org/10.1088/1674-1056/21/8/087801	PROPN
bibechana-46838	136	17	https://doi.org/10.1103/physrevlett.86.3068	https://doi.org/10.1103/physrevlett.86.3068	PROPN
bibechana-46838	136	18	https://doi.org/10.1103/physrevb.37.5571	https://doi.org/10.1103/physrevb.37.5571	PROPN
bibechana-46838	136	19	https://doi.org/10.18280/ijht.310202	https://doi.org/10.18280/ijht.310202	PROPN
bibechana-46838	136	20	aditya	aditya	PROPN
bibechana-46838	136	21	m.	m.	PROPN
bibechana-46838	136	22	vora	vora	PROPN
bibechana-46838	136	23	/	/	PUNCT
bibechana-46838	136	24	bibechana	bibechana	PROPN
bibechana-46838	136	25	19	19	NUM
bibechana-46838	136	26	(	(	PUNCT
bibechana-46838	136	27	1	1	NUM
bibechana-46838	136	28	-	-	SYM
bibechana-46838	136	29	2	2	NUM
bibechana-46838	136	30	)	)	PUNCT
bibechana-46838	136	31	(	(	PUNCT
bibechana-46838	136	32	2022	2022	NUM
bibechana-46838	136	33	)	)	PUNCT
bibechana-46838	136	34	208	208	NUM
bibechana-46838	136	35	-	-	SYM
bibechana-46838	136	36	213	213	NUM
bibechana-46838	136	37	213	213	NUM
bibechana-46838	136	38	93–98	93–98	NUM
bibechana-46838	136	39	.	.	PUNCT
bibechana-46838	137	1	https://doi.org/10.26565/2312-4334-2021-1-12	https://doi.org/10.26565/2312-4334-2021-1-12	NOUN
bibechana-46838	138	1	[	[	X
bibechana-46838	138	2	18]v	18]v	NUM
bibechana-46838	138	3	.	.	PUNCT
bibechana-46838	138	4	b.	b.	PROPN
bibechana-46838	138	5	parmar	parmar	PROPN
bibechana-46838	138	6	,	,	PUNCT
bibechana-46838	138	7	a.	a.	PROPN
bibechana-46838	138	8	m.	m.	PROPN
bibechana-46838	138	9	vora	vora	PROPN
bibechana-46838	138	10	,	,	PUNCT
bibechana-46838	138	11	study	study	NOUN
bibechana-46838	138	12	of	of	ADP
bibechana-46838	138	13	structural	structural	ADJ
bibechana-46838	138	14	and	and	CCONJ
bibechana-46838	138	15	electronic	electronic	ADJ
bibechana-46838	138	16	properties	property	NOUN
bibechana-46838	138	17	of	of	ADP
bibechana-46838	138	18	intercalated	intercalated	ADJ
bibechana-46838	138	19	crtis2	crtis2	PROPN
bibechana-46838	138	20	compound	compound	NOUN
bibechana-46838	138	21	by	by	ADP
bibechana-46838	138	22	density	density	NOUN
bibechana-46838	138	23	functional	functional	ADJ
bibechana-46838	138	24	theory	theory	NOUN
bibechana-46838	138	25	,	,	PUNCT
bibechana-46838	138	26	eurasian	eurasian	ADJ
bibechana-46838	138	27	j.	j.	PROPN
bibechana-46838	138	28	phys	phys	PROPN
bibechana-46838	138	29	.	.	PUNCT
bibechana-46838	139	1	funct	funct	PROPN
bibechana-46838	139	2	.	.	PUNCT
bibechana-46838	140	1	mater	mater	NOUN
bibechana-46838	140	2	.	.	PUNCT
bibechana-46838	141	1	5	5	NUM
bibechana-46838	141	2	(	(	PUNCT
bibechana-46838	141	3	2	2	NUM
bibechana-46838	141	4	)	)	PUNCT
bibechana-46838	141	5	(	(	PUNCT
bibechana-46838	141	6	2021	2021	NUM
bibechana-46838	141	7	)	)	PUNCT
bibechana-46838	141	8	116–125	116–125	NUM
bibechana-46838	141	9	,	,	PUNCT
bibechana-46838	141	10	https://doi.org/10.32523/ejpfm.2021050204	https://doi.org/10.32523/ejpfm.2021050204	NOUN
bibechana-46838	142	1	[	[	X
bibechana-46838	142	2	19]v	19]v	NUM
bibechana-46838	142	3	.	.	PUNCT
bibechana-46838	142	4	b.	b.	PROPN
bibechana-46838	142	5	zala	zala	PROPN
bibechana-46838	142	6	,	,	PUNCT
bibechana-46838	142	7	a.	a.	NOUN
bibechana-46838	142	8	m.	m.	PROPN
bibechana-46838	142	9	vora	vora	PROPN
bibechana-46838	142	10	and	and	CCONJ
bibechana-46838	142	11	p.	p.	PROPN
bibechana-46838	142	12	n.	n.	PROPN
bibechana-46838	142	13	gajjar	gajjar	PROPN
bibechana-46838	142	14	,	,	PUNCT
bibechana-46838	142	15	electronic	electronic	ADJ
bibechana-46838	142	16	properties	property	NOUN
bibechana-46838	142	17	of	of	ADP
bibechana-46838	142	18	iron	iron	NOUN
bibechana-46838	142	19	pnictide	pnictide	NOUN
bibechana-46838	142	20	superconductor	superconductor	NOUN
bibechana-46838	142	21	lifep	lifep	PROPN
bibechana-46838	142	22	,	,	PUNCT
bibechana-46838	142	23	aip	aip	PROPN
bibechana-46838	142	24	conf	conf	PROPN
bibechana-46838	142	25	.	.	PUNCT
bibechana-46838	143	1	proc	proc	PROPN
bibechana-46838	143	2	.	.	PUNCT
bibechana-46838	144	1	2100	2100	NUM
bibechana-46838	144	2	(	(	PUNCT
bibechana-46838	144	3	2019	2019	NUM
bibechana-46838	144	4	)	)	PUNCT
bibechana-46838	144	5	020027(1	020027(1	NUM
bibechana-46838	144	6	-	-	SYM
bibechana-46838	144	7	4	4	NUM
bibechana-46838	144	8	)	)	PUNCT
bibechana-46838	144	9	.	.	PUNCT
bibechana-46838	145	1	https://doi.org/10.1063/1.5098581	https://doi.org/10.1063/1.5098581	PROPN
bibechana-46838	146	1	[	[	X
bibechana-46838	146	2	20]h	20]h	NUM
bibechana-46838	146	3	.	.	PUNCT
bibechana-46838	147	1	s.	s.	PROPN
bibechana-46838	147	2	patel	patel	PROPN
bibechana-46838	147	3	,	,	PUNCT
bibechana-46838	147	4	v.	v.	ADP
bibechana-46838	147	5	a.	a.	NOUN
bibechana-46838	147	6	dabhi	dabhi	PROPN
bibechana-46838	147	7	,	,	PUNCT
bibechana-46838	147	8	a.	a.	NOUN
bibechana-46838	147	9	m.	m.	PROPN
bibechana-46838	147	10	vora	vora	PROPN
bibechana-46838	147	11	,	,	PUNCT
bibechana-46838	147	12	to	to	PART
bibechana-46838	147	13	study	study	VERB
bibechana-46838	147	14	the	the	DET
bibechana-46838	147	15	structural	structural	ADJ
bibechana-46838	147	16	and	and	CCONJ
bibechana-46838	147	17	electronic	electronic	ADJ
bibechana-46838	147	18	properties	property	NOUN
bibechana-46838	147	19	of	of	ADP
bibechana-46838	147	20	tibeo3	tibeo3	NOUN
bibechana-46838	147	21	using	use	VERB
bibechana-46838	147	22	density	density	NOUN
bibechana-46838	147	23	functional	functional	ADJ
bibechana-46838	147	24	theory	theory	NOUN
bibechana-46838	147	25	,	,	PUNCT
bibechana-46838	147	26	in	in	ADP
bibechana-46838	147	27	:	:	PUNCT
bibechana-46838	147	28	advances	advance	NOUN
bibechana-46838	147	29	in	in	ADP
bibechana-46838	147	30	spectroscopy	spectroscopy	NOUN
bibechana-46838	147	31	:	:	PUNCT
bibechana-46838	147	32	molecules	molecule	NOUN
bibechana-46838	147	33	to	to	ADP
bibechana-46838	147	34	materials	material	NOUN
bibechana-46838	147	35	,	,	PUNCT
bibechana-46838	147	36	d.	d.	PROPN
bibechana-46838	147	37	singh	singh	PROPN
bibechana-46838	147	38	,	,	PUNCT
bibechana-46838	147	39	s.	s.	PROPN
bibechana-46838	147	40	das	das	PROPN
bibechana-46838	147	41	,	,	PUNCT
bibechana-46838	147	42	a.	a.	NOUN
bibechana-46838	147	43	materny	materny	PROPN
bibechana-46838	147	44	(	(	PUNCT
bibechana-46838	147	45	eds	ed	NOUN
bibechana-46838	147	46	.	.	PUNCT
bibechana-46838	147	47	)	)	PUNCT
bibechana-46838	147	48	,	,	PUNCT
bibechana-46838	147	49	springer	springer	NOUN
bibechana-46838	147	50	proceedings	proceeding	NOUN
bibechana-46838	147	51	in	in	ADP
bibechana-46838	147	52	physics	physics	NOUN
bibechana-46838	147	53	,	,	PUNCT
bibechana-46838	147	54	236	236	NUM
bibechana-46838	147	55	(	(	PUNCT
bibechana-46838	147	56	2019	2019	NUM
bibechana-46838	147	57	)	)	PUNCT
bibechana-46838	147	58	389	389	NUM
bibechana-46838	147	59	-	-	SYM
bibechana-46838	147	60	395	395	NUM
bibechana-46838	147	61	.	.	PUNCT
bibechana-46838	148	1	https://doi.org/10.1007/978-981-15-0202-6_30	https://doi.org/10.1007/978-981-15-0202-6_30	PRON
bibechana-46838	149	1	[	[	X
bibechana-46838	149	2	21]v	21]v	NUM
bibechana-46838	149	3	.	.	PUNCT
bibechana-46838	149	4	a.	a.	PROPN
bibechana-46838	149	5	dabhi	dabhi	PROPN
bibechana-46838	149	6	,	,	PUNCT
bibechana-46838	149	7	h.	h.	PROPN
bibechana-46838	149	8	s.	s.	PROPN
bibechana-46838	149	9	patel	patel	PROPN
bibechana-46838	149	10	,	,	PUNCT
bibechana-46838	149	11	a.	a.	PROPN
bibechana-46838	149	12	m.	m.	PROPN
bibechana-46838	149	13	vora	vora	PROPN
bibechana-46838	149	14	,	,	PUNCT
bibechana-46838	149	15	to	to	PART
bibechana-46838	149	16	investigate	investigate	VERB
bibechana-46838	149	17	electronic	electronic	ADJ
bibechana-46838	149	18	properties	property	NOUN
bibechana-46838	149	19	of	of	ADP
bibechana-46838	149	20	alho2	alho2	ADJ
bibechana-46838	149	21	doped	dope	VERB
bibechana-46838	149	22	with	with	ADP
bibechana-46838	149	23	trivalent	trivalent	NOUN
bibechana-46838	149	24	impurities	impurity	NOUN
bibechana-46838	149	25	(	(	PUNCT
bibechana-46838	149	26	ga	ga	NOUN
bibechana-46838	149	27	,	,	PUNCT
bibechana-46838	149	28	in	in	ADP
bibechana-46838	149	29	,	,	PUNCT
bibechana-46838	149	30	tl	tl	PROPN
bibechana-46838	149	31	)	)	PUNCT
bibechana-46838	149	32	by	by	ADP
bibechana-46838	149	33	using	use	VERB
bibechana-46838	149	34	density	density	NOUN
bibechana-46838	149	35	functional	functional	ADJ
bibechana-46838	149	36	theory	theory	NOUN
bibechana-46838	149	37	,	,	PUNCT
bibechana-46838	149	38	aip	aip	PROPN
bibechana-46838	149	39	conf	conf	PROPN
bibechana-46838	149	40	.	.	PUNCT
bibechana-46838	150	1	proc	proc	PROPN
bibechana-46838	150	2	,	,	PUNCT
bibechana-46838	150	3	2224	2224	NUM
bibechana-46838	150	4	(	(	PUNCT
bibechana-46838	150	5	2020	2020	NUM
bibechana-46838	150	6	)	)	PUNCT
bibechana-46838	150	7	030003(1	030003(1	NOUN
bibechana-46838	150	8	-	-	PUNCT
bibechana-46838	150	9	4	4	NUM
bibechana-46838	150	10	)	)	PUNCT
bibechana-46838	150	11	.	.	PUNCT
bibechana-46838	151	1	https://doi.org/10.1063/5.0000484	https://doi.org/10.1063/5.0000484	NOUN
bibechana-46838	152	1	[	[	X
bibechana-46838	152	2	22]h	22]h	NUM
bibechana-46838	152	3	.	.	PUNCT
bibechana-46838	152	4	s.	s.	PROPN
bibechana-46838	152	5	patel	patel	PROPN
bibechana-46838	152	6	,	,	PUNCT
bibechana-46838	152	7	v.	v.	ADP
bibechana-46838	152	8	a.	a.	NOUN
bibechana-46838	152	9	dabhi	dabhi	PROPN
bibechana-46838	152	10	,	,	PUNCT
bibechana-46838	152	11	a.	a.	NOUN
bibechana-46838	152	12	m.	m.	PROPN
bibechana-46838	152	13	vora	vora	PROPN
bibechana-46838	152	14	,	,	PUNCT
bibechana-46838	152	15	elastic	elastic	ADJ
bibechana-46838	152	16	constants	constant	NOUN
bibechana-46838	152	17	of	of	ADP
bibechana-46838	152	18	beryllium	beryllium	NOUN
bibechana-46838	152	19	oxide	oxide	NOUN
bibechana-46838	152	20	:	:	PUNCT
bibechana-46838	152	21	a	a	DET
bibechana-46838	152	22	firstprinciples	firstprinciples	NOUN
bibechana-46838	152	23	investigation	investigation	NOUN
bibechana-46838	152	24	,	,	PUNCT
bibechana-46838	152	25	aip	aip	PROPN
bibechana-46838	152	26	conf	conf	PROPN
bibechana-46838	152	27	.	.	PUNCT
bibechana-46838	153	1	proc	proc	PROPN
bibechana-46838	153	2	,	,	PUNCT
bibechana-46838	153	3	2224	2224	NUM
bibechana-46838	153	4	(	(	PUNCT
bibechana-46838	153	5	2020	2020	NUM
bibechana-46838	153	6	)	)	PUNCT
bibechana-46838	153	7	030006(1	030006(1	PROPN
bibechana-46838	153	8	-	-	PUNCT
bibechana-46838	153	9	4	4	NUM
bibechana-46838	153	10	)	)	PUNCT
bibechana-46838	153	11	.	.	PUNCT
bibechana-46838	154	1	https://doi.org/10.1063/5.0000485	https://doi.org/10.1063/5.0000485	PROPN
bibechana-46838	155	1	[	[	X
bibechana-46838	155	2	23]v	23]v	X
bibechana-46838	155	3	.	.	PUNCT
bibechana-46838	155	4	a.	a.	PROPN
bibechana-46838	155	5	khalas	khalas	PROPN
bibechana-46838	155	6	,	,	PUNCT
bibechana-46838	155	7	v.	v.	PROPN
bibechana-46838	155	8	b.	b.	PROPN
bibechana-46838	155	9	parmar	parmar	PROPN
bibechana-46838	155	10	,	,	PUNCT
bibechana-46838	155	11	a.	a.	PROPN
bibechana-46838	155	12	m.	m.	PROPN
bibechana-46838	155	13	vora	vora	PROPN
bibechana-46838	155	14	,	,	PUNCT
bibechana-46838	155	15	a	a	DET
bibechana-46838	155	16	density	density	NOUN
bibechana-46838	155	17	functional	functional	ADJ
bibechana-46838	155	18	theory	theory	NOUN
bibechana-46838	155	19	based	base	VERB
bibechana-46838	155	20	study	study	NOUN
bibechana-46838	155	21	of	of	ADP
bibechana-46838	155	22	transition	transition	NOUN
bibechana-46838	155	23	metal	metal	NOUN
bibechana-46838	155	24	dichalcogenide	dichalcogenide	PROPN
bibechana-46838	155	25	mos2	mos2	PROPN
bibechana-46838	155	26	,	,	PUNCT
bibechana-46838	155	27	materials	material	NOUN
bibechana-46838	155	28	today	today	NOUN
bibechana-46838	155	29	:	:	PUNCT
bibechana-46838	155	30	proc	proc	NOUN
bibechana-46838	155	31	.	.	PUNCT
bibechana-46838	156	1	(	(	PUNCT
bibechana-46838	156	2	2022	2022	NUM
bibechana-46838	156	3	)	)	PUNCT
bibechana-46838	156	4	–	–	PUNCT
bibechana-46838	156	5	in	in	ADP
bibechana-46838	156	6	press	press	NOUN
bibechana-46838	156	7	.	.	PUNCT
bibechana-46838	157	1	https://doi.org/10.1016/j.matpr.2022.06.012	https://doi.org/10.1016/j.matpr.2022.06.012	PROPN
bibechana-46838	157	2	[	[	X
bibechana-46838	157	3	24]h	24]h	NUM
bibechana-46838	157	4	.	.	PUNCT
bibechana-46838	158	1	s.	s.	PROPN
bibechana-46838	158	2	patel	patel	PROPN
bibechana-46838	158	3	,	,	PUNCT
bibechana-46838	158	4	v.	v.	ADP
bibechana-46838	158	5	a.	a.	NOUN
bibechana-46838	158	6	dabhi	dabhi	PROPN
bibechana-46838	158	7	,	,	PUNCT
bibechana-46838	158	8	a.	a.	NOUN
bibechana-46838	158	9	m.	m.	PROPN
bibechana-46838	158	10	vora	vora	PROPN
bibechana-46838	158	11	,	,	PUNCT
bibechana-46838	158	12	adverse	adverse	ADJ
bibechana-46838	158	13	effect	effect	NOUN
bibechana-46838	158	14	of	of	ADP
bibechana-46838	158	15	k	k	ADJ
bibechana-46838	158	16	-	-	ADJ
bibechana-46838	158	17	mesh	mesh	NOUN
bibechana-46838	158	18	shifting	shift	VERB
bibechana-46838	158	19	in	in	ADP
bibechana-46838	158	20	several	several	ADJ
bibechana-46838	158	21	crystal	crystal	NOUN
bibechana-46838	158	22	systems	system	NOUN
bibechana-46838	158	23	:	:	PUNCT
bibechana-46838	158	24	an	an	DET
bibechana-46838	158	25	analytical	analytical	ADJ
bibechana-46838	158	26	study	study	NOUN
bibechana-46838	158	27	,	,	PUNCT
bibechana-46838	158	28	materials	material	NOUN
bibechana-46838	158	29	today	today	NOUN
bibechana-46838	158	30	:	:	PUNCT
bibechana-46838	158	31	proc	proc	NOUN
bibechana-46838	158	32	.	.	PUNCT
bibechana-46838	159	1	57	57	NUM
bibechana-46838	159	2	(	(	PUNCT
bibechana-46838	159	3	part	part	NOUN
bibechana-46838	159	4	1	1	NUM
bibechana-46838	159	5	)	)	PUNCT
bibechana-46838	159	6	(	(	PUNCT
bibechana-46838	159	7	2022	2022	NUM
bibechana-46838	159	8	)	)	PUNCT
bibechana-46838	159	9	275	275	NUM
bibechana-46838	159	10	-	-	SYM
bibechana-46838	159	11	278	278	NUM
bibechana-46838	159	12	.	.	PUNCT
bibechana-46838	160	1	https://doi.org/10.1016/j.matpr.2022.02.599	https://doi.org/10.1016/j.matpr.2022.02.599	PRON
bibechana-46838	161	1	[	[	X
bibechana-46838	161	2	25]v	25]v	NUM
bibechana-46838	161	3	.	.	PUNCT
bibechana-46838	162	1	a.	a.	PROPN
bibechana-46838	162	2	dabhi	dabhi	PROPN
bibechana-46838	162	3	,	,	PUNCT
bibechana-46838	162	4	h.	h.	PROPN
bibechana-46838	162	5	s.	s.	PROPN
bibechana-46838	162	6	patel	patel	PROPN
bibechana-46838	162	7	,	,	PUNCT
bibechana-46838	162	8	a.	a.	PROPN
bibechana-46838	162	9	m.	m.	PROPN
bibechana-46838	162	10	vora	vora	PROPN
bibechana-46838	162	11	,	,	PUNCT
bibechana-46838	162	12	investigation	investigation	NOUN
bibechana-46838	162	13	of	of	ADP
bibechana-46838	162	14	thermoelectric	thermoelectric	ADJ
bibechana-46838	162	15	properties	property	NOUN
bibechana-46838	162	16	of	of	ADP
bibechana-46838	162	17	galena	galena	NOUN
bibechana-46838	162	18	using	use	VERB
bibechana-46838	162	19	density	density	NOUN
bibechana-46838	162	20	functional	functional	ADJ
bibechana-46838	162	21	theory	theory	NOUN
bibechana-46838	162	22	,	,	PUNCT
bibechana-46838	162	23	materials	material	NOUN
bibechana-46838	162	24	today	today	NOUN
bibechana-46838	162	25	:	:	PUNCT
bibechana-46838	162	26	proc	proc	NOUN
bibechana-46838	162	27	.	.	PUNCT
bibechana-46838	163	1	(	(	PUNCT
bibechana-46838	163	2	2022	2022	NUM
bibechana-46838	163	3	)	)	PUNCT
bibechana-46838	163	4	–	–	PUNCT
bibechana-46838	163	5	in	in	ADP
bibechana-46838	163	6	press	press	NOUN
bibechana-46838	163	7	https://doi.org/10.1016/j.matpr.2022.05.548	https://doi.org/10.1016/j.matpr.2022.05.548	PROPN
bibechana-46838	164	1	[	[	X
bibechana-46838	164	2	26]h	26]h	NUM
bibechana-46838	164	3	.	.	PUNCT
bibechana-46838	165	1	s.	s.	PROPN
bibechana-46838	165	2	patel	patel	PROPN
bibechana-46838	165	3	,	,	PUNCT
bibechana-46838	165	4	v.	v.	ADP
bibechana-46838	165	5	a.	a.	NOUN
bibechana-46838	165	6	dabhi	dabhi	PROPN
bibechana-46838	165	7	,	,	PUNCT
bibechana-46838	165	8	a.	a.	NOUN
bibechana-46838	165	9	m.	m.	PROPN
bibechana-46838	165	10	vora	vora	PROPN
bibechana-46838	165	11	,	,	PUNCT
bibechana-46838	165	12	first	first	ADJ
bibechana-46838	165	13	principles	principle	NOUN
bibechana-46838	165	14	investigation	investigation	NOUN
bibechana-46838	165	15	of	of	ADP
bibechana-46838	165	16	thermoelectric	thermoelectric	ADJ
bibechana-46838	165	17	properties	property	NOUN
bibechana-46838	165	18	of	of	ADP
bibechana-46838	165	19	tibeo3	tibeo3	NOUN
bibechana-46838	165	20	,	,	PUNCT
bibechana-46838	165	21	materials	material	NOUN
bibechana-46838	165	22	today	today	NOUN
bibechana-46838	165	23	:	:	PUNCT
bibechana-46838	165	24	proc	proc	NOUN
bibechana-46838	165	25	.	.	PUNCT
bibechana-46838	166	1	(	(	PUNCT
bibechana-46838	166	2	2022	2022	NUM
bibechana-46838	166	3	)	)	PUNCT
bibechana-46838	166	4	–	–	PUNCT
bibechana-46838	166	5	in	in	ADP
bibechana-46838	166	6	press	press	NOUN
bibechana-46838	166	7	.	.	PUNCT
bibechana-46838	167	1	https://doi.org/10.1016/j.matpr.2022.05.580	https://doi.org/10.1016/j.matpr.2022.05.580	PROPN
bibechana-46838	168	1	[	[	X
bibechana-46838	168	2	27]p	27]p	NUM
bibechana-46838	168	3	.	.	PUNCT
bibechana-46838	169	1	hohenberg	hohenberg	PROPN
bibechana-46838	169	2	,	,	PUNCT
bibechana-46838	169	3	w.	w.	PROPN
bibechana-46838	169	4	kohn	kohn	PROPN
bibechana-46838	169	5	,	,	PUNCT
bibechana-46838	169	6	inhomogeneous	inhomogeneous	ADJ
bibechana-46838	169	7	electron	electron	NOUN
bibechana-46838	169	8	gas	gas	NOUN
bibechana-46838	169	9	,	,	PUNCT
bibechana-46838	169	10	phys	phy	NOUN
bibechana-46838	169	11	.	.	PUNCT
bibechana-46838	169	12	rev	rev	PROPN
bibechana-46838	169	13	.	.	PROPN
bibechana-46838	169	14	136	136	NUM
bibechana-46838	169	15	(	(	PUNCT
bibechana-46838	169	16	1964	1964	NUM
bibechana-46838	169	17	)	)	PUNCT
bibechana-46838	170	1	b864b871	b864b871	NOUN
bibechana-46838	170	2	.	.	PUNCT
bibechana-46838	170	3	https://doi.org/10.1103/physrev.136.b864	https://doi.org/10.1103/physrev.136.b864	PROPN
bibechana-46838	171	1	[	[	X
bibechana-46838	171	2	28]w	28]w	NUM
bibechana-46838	171	3	.	.	PUNCT
bibechana-46838	172	1	kohn	kohn	PROPN
bibechana-46838	172	2	,	,	PUNCT
bibechana-46838	172	3	l.	l.	PROPN
bibechana-46838	172	4	j.	j.	PROPN
bibechana-46838	172	5	sham	sham	PROPN
bibechana-46838	172	6	,	,	PUNCT
bibechana-46838	172	7	self	self	NOUN
bibechana-46838	172	8	-	-	PUNCT
bibechana-46838	172	9	consistent	consistent	ADJ
bibechana-46838	172	10	equations	equation	NOUN
bibechana-46838	172	11	including	include	VERB
bibechana-46838	172	12	exchange	exchange	NOUN
bibechana-46838	172	13	and	and	CCONJ
bibechana-46838	172	14	correlation	correlation	NOUN
bibechana-46838	172	15	effects	effect	NOUN
bibechana-46838	172	16	,	,	PUNCT
bibechana-46838	172	17	phys	phy	NOUN
bibechana-46838	172	18	rev	rev	VERB
bibechana-46838	172	19	.	.	PROPN
bibechana-46838	172	20	140	140	NUM
bibechana-46838	172	21	(	(	PUNCT
bibechana-46838	172	22	1965	1965	NUM
bibechana-46838	172	23	)	)	PUNCT
bibechana-46838	173	1	a1133	a1133	PROPN
bibechana-46838	173	2	-	-	PROPN
bibechana-46838	173	3	a1138	a1138	PROPN
bibechana-46838	173	4	.	.	PUNCT
bibechana-46838	174	1	https://doi.org/10.1103/physrev.140.a1133	https://doi.org/10.1103/physrev.140.a1133	PROPN
bibechana-46838	175	1	[	[	X
bibechana-46838	175	2	29]m	29]m	NUM
bibechana-46838	175	3	.	.	PUNCT
bibechana-46838	176	1	born	bear	VERB
bibechana-46838	176	2	,	,	PUNCT
bibechana-46838	176	3	k.	k.	PROPN
bibechana-46838	176	4	huang	huang	PROPN
bibechana-46838	176	5	dynamical	dynamical	ADJ
bibechana-46838	176	6	theory	theory	NOUN
bibechana-46838	176	7	of	of	ADP
bibechana-46838	176	8	crystal	crystal	NOUN
bibechana-46838	176	9	lattices	lattice	NOUN
bibechana-46838	176	10	.	.	PUNCT
bibechana-46838	177	1	clarendon	clarendon	PROPN
bibechana-46838	177	2	press	press	PROPN
bibechana-46838	177	3	,	,	PUNCT
bibechana-46838	177	4	(	(	PUNCT
bibechana-46838	177	5	1988	1988	NUM
bibechana-46838	177	6	)	)	PUNCT
bibechana-46838	177	7	.	.	PUNCT
bibechana-46838	178	1	[	[	X
bibechana-46838	178	2	30]v	30]v	NUM
bibechana-46838	178	3	.	.	NOUN
bibechana-46838	178	4	fock	fock	ADJ
bibechana-46838	178	5	,	,	PUNCT
bibechana-46838	178	6	näherungsmethode	näherungsmethode	PROPN
bibechana-46838	178	7	zur	zur	PROPN
bibechana-46838	178	8	lösung	lösung	PROPN
bibechana-46838	178	9	des	des	PROPN
bibechana-46838	178	10	quantenmechanischen	quantenmechanischen	PROPN
bibechana-46838	178	11	mehrkörperproblems	mehrkörperproblems	PROPN
bibechana-46838	178	12	,	,	PUNCT
bibechana-46838	178	13	zeitschrift	zeitschrift	NOUN
bibechana-46838	178	14	phys	phy	NOUN
bibechana-46838	178	15	.	.	PUNCT
bibechana-46838	179	1	61	61	NUM
bibechana-46838	179	2	(	(	PUNCT
bibechana-46838	179	3	1930	1930	NUM
bibechana-46838	179	4	)	)	PUNCT
bibechana-46838	179	5	126	126	NUM
bibechana-46838	179	6	-	-	SYM
bibechana-46838	179	7	128	128	NUM
bibechana-46838	179	8	.	.	PUNCT
bibechana-46838	180	1	https://doi.org/10.1007/bf01340294	https://doi.org/10.1007/bf01340294	PUNCT
bibechana-46838	181	1	[	[	X
bibechana-46838	181	2	31]p	31]p	NUM
bibechana-46838	181	3	.	.	PUNCT
bibechana-46838	181	4	giannozzi	giannozzi	NOUN
bibechana-46838	181	5	et	et	PROPN
bibechana-46838	181	6	al	al	PROPN
bibechana-46838	181	7	.	.	PROPN
bibechana-46838	181	8	,	,	PUNCT
bibechana-46838	181	9	advanced	advanced	ADJ
bibechana-46838	181	10	capabilities	capability	NOUN
bibechana-46838	181	11	for	for	ADP
bibechana-46838	181	12	materials	material	NOUN
bibechana-46838	181	13	modelling	modelling	NOUN
bibechana-46838	181	14	with	with	ADP
bibechana-46838	181	15	quantum	quantum	ADJ
bibechana-46838	181	16	espresso	espresso	NOUN
bibechana-46838	181	17	,	,	PUNCT
bibechana-46838	181	18	j.	j.	PROPN
bibechana-46838	181	19	phys	phys	PROPN
bibechana-46838	181	20	.	.	PUNCT
bibechana-46838	182	1	cond	cond	PROPN
bibechana-46838	182	2	.	.	PUNCT
bibechana-46838	183	1	matter	matter	NOUN
bibechana-46838	183	2	29	29	NUM
bibechana-46838	183	3	(	(	PUNCT
bibechana-46838	183	4	2017	2017	NUM
bibechana-46838	183	5	)	)	PUNCT
bibechana-46838	183	6	465901	465901	NUM
bibechana-46838	183	7	(	(	PUNCT
bibechana-46838	183	8	30	30	NUM
bibechana-46838	183	9	pages	page	NOUN
bibechana-46838	183	10	)	)	PUNCT
bibechana-46838	183	11	.	.	PUNCT
bibechana-46838	184	1	https://doi.org/10.1088/1361-648x/aa8f79	https://doi.org/10.1088/1361-648x/aa8f79	PROPN
bibechana-46838	185	1	[	[	X
bibechana-46838	185	2	32]j	32]j	NUM
bibechana-46838	185	3	.	.	PUNCT
bibechana-46838	185	4	soler	soler	PROPN
bibechana-46838	185	5	,	,	PUNCT
bibechana-46838	185	6	e.	e.	PROPN
bibechana-46838	185	7	artacho	artacho	PROPN
bibechana-46838	185	8	,	,	PUNCT
bibechana-46838	185	9	j.	j.	PROPN
bibechana-46838	185	10	gale	gale	PROPN
bibechana-46838	185	11	,	,	PUNCT
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bibechana-46838	185	14	,	,	PUNCT
bibechana-46838	185	15	j.	j.	PROPN
bibechana-46838	185	16	junquera	junquera	PROPN
bibechana-46838	185	17	,	,	PUNCT
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bibechana-46838	185	19	ordejón	ordejón	PROPN
bibechana-46838	185	20	,	,	PUNCT
bibechana-46838	185	21	d.	d.	PROPN
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bibechana-46838	185	23	-	-	PUNCT
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bibechana-46838	185	27	siesta	siesta	PROPN
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bibechana-46838	185	33	-	-	PUNCT
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bibechana-46838	185	35	materials	material	NOUN
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bibechana-46838	185	37	,	,	PUNCT
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bibechana-46838	185	39	phys	phys	PROPN
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bibechana-46838	186	2	.	.	PUNCT
bibechana-46838	187	1	matter	matter	NOUN
bibechana-46838	187	2	,	,	PUNCT
bibechana-46838	187	3	14	14	NUM
bibechana-46838	187	4	(	(	PUNCT
bibechana-46838	187	5	2002	2002	NUM
bibechana-46838	187	6	)	)	PUNCT
bibechana-46838	187	7	2745	2745	NUM
bibechana-46838	187	8	-	-	SYM
bibechana-46838	187	9	2779	2779	NUM
bibechana-46838	187	10	.	.	PUNCT
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bibechana-46838	189	2	33	33	NUM
bibechana-46838	189	3	]	]	PUNCT
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bibechana-46838	189	7	:	:	PUNCT
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bibechana-46838	190	1	[	[	X
bibechana-46838	190	2	34	34	NUM
bibechana-46838	190	3	]	]	PUNCT
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bibechana-46838	190	6	[	[	X
bibechana-46838	190	7	35	35	NUM
bibechana-46838	190	8	]	]	PUNCT
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bibechana-46838	190	10	site	site	NOUN
bibechana-46838	190	11	:	:	PUNCT
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bibechana-46838	190	13	[	[	X
bibechana-46838	190	14	36	36	NUM
bibechana-46838	190	15	]	]	PUNCT
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bibechana-46838	190	17	site	site	NOUN
bibechana-46838	190	18	:	:	PUNCT
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bibechana-46838	191	3	37]winmoster	37]winmoster	NUM
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bibechana-46838	191	7	,	,	PUNCT
bibechana-46838	191	8	k.burke	k.burke	NOUN
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bibechana-46838	191	11	,	,	PUNCT
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bibechana-46838	191	13	zed	zed	PROPN
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bibechana-46838	191	16	made	make	VERB
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bibechana-46838	191	18	,	,	PUNCT
bibechana-46838	191	19	phys.rev	phys.rev	X
bibechana-46838	191	20	.	.	PUNCT
bibechana-46838	191	21	lett.77(1996)38653868.https://doi.org/10.1103	lett.77(1996)38653868.https://doi.org/10.1103	AUX
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bibechana-46838	192	3	,	,	PUNCT
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bibechana-46838	192	13	comp	comp	NOUN
bibechana-46838	192	14	.	.	PUNCT
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bibechana-46838	194	1	sci	sci	PROPN
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bibechana-46838	195	4	.	.	PUNCT
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bibechana-46838	196	3	.	.	PUNCT
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bibechana-46838	197	5	https://doi.org/10.1063/5.0000484	https://doi.org/10.1063/5.0000484	NOUN
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bibechana-46838	197	11	https://doi.org/10.1103/physrev.136.b864	https://doi.org/10.1103/physrev.136.b864	PROPN
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bibechana-46838	197	17	http://susi.theochem.tuwien.ac.at/	http://susi.theochem.tuwien.ac.at/	PROPN
bibechana-46838	197	18	http://www.castep.org/	http://www.castep.org/	X
bibechana-46838	197	19	https://www.abinit.org/	https://www.abinit.org/	X
bibechana-46838	197	20	https://doi.org/10.1103/physrevlett.77.3865	https://doi.org/10.1103/physrevlett.77.3865	X
bibechana-46838	197	21	https://doi.org/10.1103/physrevlett.77.3865	https://doi.org/10.1103/physrevlett.77.3865	X
bibechana-46838	197	22	https://doi.org/10.1016/j.commatsci.2014.07.043	https://doi.org/10.1016/j.commatsci.2014.07.043	ADJ
bibechana-46838	197	23	https://doi.org/10.1016/j.commatsci.2014.07.043	https://doi.org/10.1016/j.commatsci.2014.07.043	VERB