PRJCAR - Revision history

Huebsch at 11:35, 21 October 2024

2024-10-21T11:35:48Z

← Older revision		Revision as of 11:35, 21 October 2024
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	{{TAG\|LKPROJ}}		{{TAG\|LKPROJ}}

	~~----~~

	[[Category:Files]]		[[Category:Files]][[Category:Output files]][[Category:Crystal momentum]]

Ftran at 08:26, 20 October 2023

2023-10-20T08:26:23Z

← Older revision		Revision as of 08:26, 20 October 2023
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	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:Files]]		[[Category:Files]]

Vaspmaster at 22:47, 28 September 2017

2017-09-28T22:47:54Z

← Older revision		Revision as of 22:47, 28 September 2017
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

	~~[[Category:VASP]]~~[[Category:Files]]		[[Category:Files]]

Vaspmaster at 15:45, 3 December 2012

2012-12-03T15:45:53Z

← Older revision		Revision as of 15:45, 3 December 2012
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	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, followed by one or more rows with a total of <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, followed by one or more rows with a total of <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.

			== Related Tags and Sections ==
			{{TAG\|LKPROJ}}

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Vaspmaster at 15:45, 3 December 2012

2012-12-03T15:45:09Z

← Older revision		Revision as of 15:45, 3 December 2012
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	</math>		</math>

	:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.~~prime~~}} (see the section of {{TAG\|LKPROJ}}).		:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prim}} (see the section of {{TAG\|LKPROJ}}).
	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, followed by one or more rows with a total of <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, followed by one or more rows with a total of <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.

Vaspmaster at 15:41, 3 December 2012

2012-12-03T15:41:10Z

← Older revision		Revision as of 15:41, 3 December 2012
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	:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).		:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).
	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, ~~and~~ a ~~a row with~~ <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, followed by one or more rows with a total of <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.

Vaspmaster at 15:27, 3 December 2012

2012-12-03T15:27:48Z

← Older revision		Revision as of 15:27, 3 December 2012
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	:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).		:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).
	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, and a a row with <tt>NKPTS_PRIME</tt> entries , one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, and a a row with <tt>NKPTS_PRIME</tt> entries K<sub>n'''k'''σ'''k′'''</sub>, one for each point '''k′'''.

Vaspmaster at 15:26, 3 December 2012

2012-12-03T15:26:49Z

← Older revision		Revision as of 15:26, 3 December 2012
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	:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).		:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).
	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} ~~file contains~~ a row with <tt>NKPTS_PRIME</tt> entries, one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} lists the index ''n'' and eigenenergy ε<sub>n'''k'''σ</sub>, and a a row with <tt>NKPTS_PRIME</tt> entries , one for each point '''k′'''.

Vaspmaster at 15:16, 3 December 2012

2012-12-03T15:16:10Z

← Older revision		Revision as of 15:16, 3 December 2012
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	The PRJCAR file stores the output of the '''k'''-point projection scheme ({{TAG\|LKPROJ}}=.TRUE.).		The PRJCAR file stores the output of the '''k'''-point projection scheme (for {{TAG\|LKPROJ}}=.TRUE.).

	----		----
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	</math>		</math>

	:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}}.		:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}} (see the section of {{TAG\|LKPROJ}}).
	:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} file contains a row with <tt>NKPTS_PRIME</tt> entries, one for each point '''k′'''.		:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} file contains a row with <tt>NKPTS_PRIME</tt> entries, one for each point '''k′'''.

Vaspmaster at 15:15, 3 December 2012

2012-12-03T15:15:12Z

← Older revision		Revision as of 15:15, 3 December 2012
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	The PRJCAR file		The PRJCAR file stores the output of the '''k'''-point projection scheme ({{TAG\|LKPROJ}}=.TRUE.).

			----
			It has the following format:
			* The header section lists the basis vectors of the reciprocal space belonging to the structure defined in the {{FILE\|POSCAR.prim}} file, and a list of the set of points {'''k′'''}, the projection scheme has found in the irreducible part of the Brillouin (IBZ) zone of the aforementioned reciprocal space cell (see the section on {{TAG\|LKPROJ}}).

			* The body of the {{FILE\|PRJCAR}} file lists:

			:<math>
			\Kappa_{n\mathbf{k}\sigma\mathbf{k}'}=\sum_{\mathbf{GG}'}
			\|\langle \mathbf{k}'+\mathbf{G}'\| \mathbf{k}+\mathbf{G}\rangle
			\langle \mathbf{k}+\mathbf{G} \| \Psi_{n\mathbf{k}\sigma}\rangle \|^2
			</math>

			:where ''n'' is the band index, '''k''' labels the <tt>NKPTS</tt> points in the IBZ of the structure defined by the {{FILE\|POSCAR}} file, σ is the spin index, and '''k′''' refers to the <tt>NKPTS_PRIME</tt> points in the IBZ of {{FILE\|POSCAR.prime}}.
			:For each band ''n'' at '''k'''σ the body of the {{FILE\|PRJCAR}} file contains a row with <tt>NKPTS_PRIME</tt> entries, one for each point '''k′'''.


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