PHON NWRITE - Revision history

Miranda.henrique at 10:48, 23 October 2023

2023-10-23T10:48:23Z

← Older revision		Revision as of 10:48, 23 October 2023
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	{{sc\|LPHON_DISPERSION\|Examples\|Examples that use this tag}}		{{sc\|LPHON_DISPERSION\|Examples\|Examples that use this tag}}

	~~----~~

	[[Category:INCAR tag]][[Category:Phonons]]		[[Category:INCAR tag]][[Category:Phonons]]

Miranda.henrique at 13:29, 30 August 2022

2022-08-30T13:29:59Z

← Older revision		Revision as of 13:29, 30 August 2022
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	{{DISPLAYTITLE:PHON_NWRITE}}		{{DISPLAYTITLE:PHON_NWRITE}}
	{{TAGDEF\|PHON_NWRITE\|~~.TRUE. {{!}} .FALSE.~~ }}		{{TAGDEF\|PHON_NWRITE\|[integer]}}
	{{DEF\|PHON_NWRITE\|~~.FALSE.~~\|}}		{{DEF\|PHON_NWRITE\|1\|}}

	Description: {{TAG\|PHON_NWRITE}}		Description: {{TAG\|PHON_NWRITE}}

Tal at 09:21, 20 July 2022

2022-07-20T09:21:58Z

← Older revision		Revision as of 09:21, 20 July 2022
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	\| 1 \|\| For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.		\| 1 \|\| For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
	\|-		\|-
	\| 0 \|\| No phonon output is written to OUTCAR		\| 0 \|\| No phonon output is written to OUTCAR.
	\|-		\|-
	\| -1 \|\| For each q point, only a single line is written containing q-point coordinates and frequencies.		\| -1 \|\| For each q point, only a single line is written containing q-point coordinates and frequencies.

Tal at 09:21, 20 July 2022

2022-07-20T09:21:22Z

← Older revision		Revision as of 09:21, 20 July 2022
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	! PHON_NWRITE !! Description		! PHON_NWRITE !! Description
	\|-		\|-
	\| 2 \|\| For each q point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line		\| 2 \|\| For each q point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line.
	\|-		\|-
	\| 1 \|\| For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.		\| 1 \|\| For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.

Tal at 09:19, 20 July 2022

2022-07-20T09:19:57Z

← Older revision		Revision as of 09:19, 20 July 2022
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	Description: {{TAG\|PHON_NWRITE}}		Description: {{TAG\|PHON_NWRITE}}
	~~Determines~~ how much output is written to the {{FILE\|OUTCAR}} file when computing the phonon dispersion {{TAG\|LPHON_DISPERSION}}=.TRUE.		determines how much output is written to the {{FILE\|OUTCAR}} file when computing the phonon dispersion {{TAG\|LPHON_DISPERSION}}=.TRUE.

	----		----
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	! PHON_NWRITE !! Description		! PHON_NWRITE !! Description
	\|-		\|-
	\| 2 \|\| For each q-point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line		\| 2 \|\| For each q point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line
	\|-		\|-
	\| 1 \|\| For each q-point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.		\| 1 \|\| For each q point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
	\|-		\|-
	\| 0 \|\| No phonon output is written to OUTCAR		\| 0 \|\| No phonon output is written to OUTCAR
	\|-		\|-
	\| -1 \|\| For each q-point, only a single line is written containing q-point coordinates and frequencies.		\| -1 \|\| For each q point, only a single line is written containing q-point coordinates and frequencies.
	\|-		\|-
	\| -2 \|\| For each q-point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.		\| -2 \|\| For each q point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.
	\|-		\|-
	\| -3 \|\| Like -2, but in addition, the phonon eigenvectors are written for each q-point.		\| -3 \|\| Like -2, but in addition, the phonon eigenvectors are written for each q point.
	\|}		\|}
	{{NB\|mind\| Only available as of VASP 6.3.2.}}		{{NB\|mind\| Only available as of VASP 6.3.2.}}

Miranda.henrique at 08:26, 20 July 2022

2022-07-20T08:26:40Z

← Older revision		Revision as of 08:26, 20 July 2022
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	{{FILE\| QPOINTS}},		{{FILE\| QPOINTS}},
	{{TAG \| LPHON_DISPERSION}},		{{TAG \| LPHON_DISPERSION}},
	~~{{TAG \| PHON_NWRITE}},~~
	{{TAG \| LPHON_POLAR}},		{{TAG \| LPHON_POLAR}},
	{{TAG \| PHON_DIELECTRIC}},		{{TAG \| PHON_DIELECTRIC}},

Miranda.henrique at 08:24, 20 July 2022

2022-07-20T08:24:41Z

← Older revision		Revision as of 08:24, 20 July 2022
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			{{DISPLAYTITLE:PHON_NWRITE}}
	{{TAGDEF\|PHON_NWRITE\|.TRUE. {{!}} .FALSE. }}		{{TAGDEF\|PHON_NWRITE\|.TRUE. {{!}} .FALSE. }}
	{{DEF\|PHON_NWRITE\|.FALSE.\|}}		{{DEF\|PHON_NWRITE\|.FALSE.\|}}
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	{{TAG \| PHON_DIELECTRIC}},		{{TAG \| PHON_DIELECTRIC}},
	{{TAG \| PHON_BORN_CHARGES}},		{{TAG \| PHON_BORN_CHARGES}},
	{{TAG \| PHON_G_CUTOFF}},		{{TAG \| PHON_G_CUTOFF}}
	~~{{TAG \| PHON_DOS}},~~
	~~{{TAG \| PHON_SIGMA}},~~
	~~{{TAG \| PHON_NEDOS}}~~


	{{sc\|LPHON_DISPERSION\|Examples\|Examples that use this tag}}		{{sc\|LPHON_DISPERSION\|Examples\|Examples that use this tag}}

Miranda.henrique: Created page with "{{TAGDEF|PHON_NWRITE|.TRUE. {{!}} .FALSE. }} {{DEF|PHON_NWRITE|.FALSE.|}} Description: {{TAG|PHON_NWRITE}} Determines how much output is written to the {{FILE|OUTCAR}} file..."

2022-07-19T13:35:17Z

Created page with "{{TAGDEF|PHON_NWRITE|.TRUE. {{!}} .FALSE. }} {{DEF|PHON_NWRITE|.FALSE.|}} Description: {{TAG|PHON_NWRITE}} Determines how much output is written to the {{FILE|OUTCAR}} file..."

New page

{{TAGDEF|PHON_NWRITE|.TRUE. {{!}} .FALSE. }}
{{DEF|PHON_NWRITE|.FALSE.|}}

Description: {{TAG|PHON_NWRITE}}
Determines how much output is written to the {{FILE|OUTCAR}} file when computing the phonon dispersion {{TAG|LPHON_DISPERSION}}=.TRUE.

----

Positive numbers mean human-readable output, and negative numbers mean one-line format. The available options are:

{| class="wikitable"
|-
! PHON_NWRITE !! Description
|-
| 2 || For each q-point, write the same as 1 and then the phonon modes with the displacement of each atom in the three cartesian directions per line
|-
| 1 || For each q-point, q-point coordinates are written in one line and the phonon frequencies are written one branch per line in different units.
|-
| 0 || No phonon output is written to OUTCAR
|-
| -1 || For each q-point, only a single line is written containing q-point coordinates and frequencies.
|-
| -2 || For each q-point, q-point coordinates and frequencies are written in separate blocks and frequencies are reported in different units.
|-
| -3 || Like -2, but in addition, the phonon eigenvectors are written for each q-point.
|}
{{NB|mind| Only available as of VASP 6.3.2.}}

==Related tags and articles==
{{FILE| QPOINTS}},
{{TAG | LPHON_DISPERSION}},
{{TAG | PHON_NWRITE}},
{{TAG | LPHON_POLAR}},
{{TAG | PHON_DIELECTRIC}},
{{TAG | PHON_BORN_CHARGES}},
{{TAG | PHON_G_CUTOFF}},
{{TAG | PHON_DOS}},
{{TAG | PHON_SIGMA}},
{{TAG | PHON_NEDOS}}

{{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}

----

[[Category:INCAR tag]][[Category:Phonons]]