LWRITE UNK - Revision history

Huebsch at 11:55, 19 July 2022

2022-07-19T11:55:55Z

← Older revision		Revision as of 11:55, 19 July 2022
Line 11:		Line 11:
	== Related tags and articles ==		== Related tags and articles ==
	{{TAG\|LWANNIER90}},		{{TAG\|LWANNIER90}},
	{{TAG\|LWRITE_MMN_AMN~~}},~~		{{TAG\|LWRITE_MMN_AMN}}
	~~{{TAG\|LWRITE_UNK~~}}

	{{sc\|LWANNIER90_RUN\|Examples\|Examples that use this tag}}		{{sc\|LWANNIER90_RUN\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR tag]][[Category:Wannier ~~Functions~~]]		[[Category:INCAR tag]][[Category:Wannier functions]]

Karsai at 15:56, 7 April 2022

2022-04-07T15:56:38Z

← Older revision		Revision as of 15:56, 7 April 2022
Line 1:		Line 1:
	{{DISPLAYTITLE:LWRITE_UNK}}		{{DISPLAYTITLE:LWRITE_UNK}}

	{{TAGDEF\|LWRITE_UNK\|.TRUE. {{!}} .FALSE.\|.FALSE.}}		{{TAGDEF\|LWRITE_UNK\|.TRUE. {{!}} .FALSE.\|.FALSE.}}

Karsai at 06:50, 7 April 2022

2022-04-07T06:50:23Z

← Older revision		Revision as of 06:50, 7 April 2022
Line 18:		Line 18:
	----		----

	[[Category:INCAR ~~tags~~]][[Category:Wannier Functions]]		[[Category:INCAR tag]][[Category:Wannier Functions]]

Karsai at 16:53, 6 April 2022

2022-04-06T16:53:50Z

← Older revision		Revision as of 16:53, 6 April 2022
Line 1:		Line 1:
			{{DISPLAYTITLE:LWRITE_UNK}}

	{{TAGDEF\|LWRITE_UNK\|.TRUE. {{!}} .FALSE.\|.FALSE.}}		{{TAGDEF\|LWRITE_UNK\|.TRUE. {{!}} .FALSE.\|.FALSE.}}

Line 8:		Line 10:
	For information on the '''wannier90.win''' file and the execution of WANNIER90, we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual].		For information on the '''wannier90.win''' file and the execution of WANNIER90, we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual].

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|LWANNIER90}},		{{TAG\|LWANNIER90}},
	{{TAG\|LWRITE_MMN_AMN}},		{{TAG\|LWRITE_MMN_AMN}},
Line 16:		Line 18:
	----		----

	[[Category:INCAR]][[Category:Wannier Functions]]		[[Category:INCAR tags]][[Category:Wannier Functions]]

Huebsch at 08:54, 24 August 2021

2021-08-24T08:54:58Z

← Older revision		Revision as of 08:54, 24 August 2021
Line 3:		Line 3:
	Description: {{TAG\|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written.		Description: {{TAG\|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written.
	----		----
	For ~~details on the execution of <tt>wannier_setup</tt> in VASP, see the description of the~~ {{TAG\|~~LWANNIER90~~}}-~~tag.~~		For {{TAG\|LWRITE_UNK}}=True, VASP writes the cell-periodic part of the Kohn–Sham orbitals in spin channel s at k point p to the file '''wannier90.UNKp.s'''. This file can be used to plot Wannier orbitals with WANNIER90.
	~~For information on~~ the ~~many tags one may set~~ in the ~~{{FILE\|~~wannier90.~~win}}~~ file ~~to control the execution of WANNIER90 (~~be ~~it standalone or in library mode) we refer~~ to ~~the [http://www.wannier.org/doc/user_guide.pdf~~ WANNIER90 ~~manual]~~.

	~~'''Mind''': To plot Wannier orbitals with WANNIER90~~ the ~~cell-periodic parts~~ of ~~the Bloch functions~~ <~~math~~>~~\|u_{nk}\rangle~~</~~math~~> ~~should be present~~ in ~~form~~ of ~~unformated files with filename "UNK~~...". ~~These files are only written if the INCAR contains following line:~~		For details on the execution of <tt>wannier_setup</tt> in VASP, see the description of the {{TAG\|LWANNIER90}} tag.
			For information on the '''wannier90.win''' file and the execution of WANNIER90, we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual].
	~~LWRITE_UNK =~~ .~~TRUE~~.

	== Related Tags and Sections ==		== Related Tags and Sections ==

Karsai at 17:39, 11 March 2019

2019-03-11T17:39:01Z

← Older revision		Revision as of 17:39, 11 March 2019
Line 17:		Line 17:
	{{sc\|LWANNIER90_RUN\|Examples\|Examples that use this tag}}		{{sc\|LWANNIER90_RUN\|Examples\|Examples that use this tag}}
	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:INCAR]][[Category:Wannier Functions]]		[[Category:INCAR]][[Category:Wannier Functions]]

Kaltakm at 13:30, 4 March 2019

2019-03-04T13:30:43Z

← Older revision		Revision as of 13:30, 4 March 2019
Line 9:		Line 9:

	LWRITE_UNK = .TRUE.		LWRITE_UNK = .TRUE.


	== Related Tags and Sections ==		== Related Tags and Sections ==

Kaltakm at 13:30, 4 March 2019

2019-03-04T13:30:23Z

← Older revision		Revision as of 13:30, 4 March 2019
Line 8:		Line 8:
	'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>\|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:		'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>\|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:

	~~{{TAGBL\|~~LWRITE_UNK}} = .TRUE.		LWRITE_UNK = .TRUE.

Kaltakm at 13:30, 4 March 2019

2019-03-04T13:30:07Z

← Older revision		Revision as of 13:30, 4 March 2019
Line 8:		Line 8:
	'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>\|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:		'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>\|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:

	{{~~TABBL~~\| LWRITE_UNK }} = .TRUE.		{{TAGBL\|LWRITE_UNK}} = .TRUE.

Kaltakm: Created page with "{{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written. ---- For..."

2019-03-04T13:28:27Z

Created page with "{{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written. ---- For..."

New page

{{TAGDEF|LWRITE_UNK|.TRUE. {{!}} .FALSE.|.FALSE.}}

Description: {{TAG|LWRITE_UNK}} decides whether the cell-periodic part of the relevant Bloch functions is written.
----
For details on the execution of <tt>wannier_setup</tt> in VASP, see the description of the {{TAG|LWANNIER90}}-tag.
For information on the many tags one may set in the {{FILE|wannier90.win}} file to control the execution of WANNIER90 (be it standalone or in library mode) we refer to the [http://www.wannier.org/doc/user_guide.pdf WANNIER90 manual].

'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:

{{TABBL| LWRITE_UNK }} = .TRUE.

== Related Tags and Sections ==
{{TAG|LWANNIER90}},
{{TAG|LWRITE_MMN_AMN}},
{{TAG|LWRITE_UNK}}

{{sc|LWANNIER90_RUN|Examples|Examples that use this tag}}
----
[[The_VASP_Manual|Contents]]

[[Category:INCAR]][[Category:Wannier Functions]]