CHG - Revision history

Schlipf at 13:37, 7 March 2025

2025-03-07T13:37:50Z

← Older revision		Revision as of 13:37, 7 March 2025
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	----		----

	[[Category:Files]][[Category:Output ~~Files~~]]		[[Category:Files]][[Category:Output files]]

Karsai at 08:42, 17 February 2024

2024-02-17T08:42:47Z

← Older revision		Revision as of 08:42, 17 February 2024
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	This file contains the lattice vectors, atomic coordinates and the total charge ~~density~~ multiplied by the grid volume <math>n(r)\times V_{\mathrm{grid}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}, with <math>V_\mathrm{grid}</math> = {{TAG\|NGXF}}<math>\times</math>{{TAG\|NGYF}}<math>\times</math>{{TAG\|NGZF}}) at every tenth MD step i.e.		This file contains the lattice vectors, atomic coordinates and the total charge multiplied by the grid volume <math>n(r)\times V_{\mathrm{grid}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}, with <math>V_\mathrm{grid}</math> = {{TAG\|NGXF}}<math>\times</math>{{TAG\|NGYF}}<math>\times</math>{{TAG\|NGZF}}) at every tenth MD step i.e.

	MOD(NSTEP,10)==1,		MOD(NSTEP,10)==1,

Wolloch at 16:05, 1 February 2024

2024-02-01T16:05:05Z

← Older revision		Revision as of 16:05, 1 February 2024
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	This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume <math>~~\rho~~(r)* V_{\mathrm{~~cell~~}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}) at every tenth MD step i.e.		This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the grid volume <math>n(r)\times V_{\mathrm{grid}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}, with <math>V_\mathrm{grid}</math> = {{TAG\|NGXF}}<math>\times</math>{{TAG\|NGYF}}<math>\times</math>{{TAG\|NGZF}}) at every tenth MD step i.e.

	MOD(NSTEP,10)==1,		MOD(NSTEP,10)==1,

Karsai at 05:36, 7 April 2021

2021-04-07T05:36:04Z

← Older revision		Revision as of 05:36, 7 April 2021
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	----		----
	~~[[The_VASP_Manual\|Contents]]~~

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

Karsai at 15:11, 22 February 2019

2019-02-22T15:11:57Z

← Older revision		Revision as of 15:11, 22 February 2019
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	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

Vaspmaster at 22:41, 28 September 2017

2017-09-28T22:41:35Z

← Older revision		Revision as of 22:41, 28 September 2017
Line 12:		Line 12:
	[[The_VASP_Manual\|Contents]]		[[The_VASP_Manual\|Contents]]

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

Karsai at 11:33, 22 January 2017

2017-01-22T11:33:33Z

← Older revision		Revision as of 11:33, 22 January 2017
Line 1:		Line 1:
	This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume <math>\rho(r)* V_{\~~matrm~~{cell}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}) at every tenth MD step i.e.		This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume <math>\rho(r)* V_{\mathrm{cell}}</math> on the fine FFT-grid ({{TAG\|NG(X,Y,Z)F}}) at every tenth MD step i.e.

	MOD(NSTEP,10)==1,		MOD(NSTEP,10)==1,

Karsai: Created page with "This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume $\rho(r)* V_{\matrm{cell}}$ on the fine FFT-grid ({..."

2017-01-22T11:32:59Z

Created page with "This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume <math>\rho(r)* V_{\matrm{cell}}</math> on the fine FFT-grid ({..."

New page

This file contains the lattice vectors, atomic coordinates and the total charge density multiplied by the volume <math>\rho(r)* V_{\matrm{cell}}</math> on the fine FFT-grid ({{TAG|NG(X,Y,Z)F}}) at every tenth MD step i.e.

MOD(NSTEP,10)==1,

where {{TAG|NSTEP}} starts from 1. To save disc space less digits are written to the {{TAG|CHG}} file than to the {{TAG|CHGCAR}}. The file can be used to provide data for visualization programs, for instance IBM data explorer (for the IBM data explorer, a tool exists to convert the {{TAG|CHG}} file to a valid data explorer file). It is possible to avoid that the {{TAG|CHG}} file is written out by setting

LCHARG = .FALSE.

in the {{TAG|INCAR}} file. The data arrangement of the {{TAG|CHG}} file is similar to that of the {{TAG|CHGCAR}} file, with the exception of the PAW one centre occupancies, which are missing on the {{TAG|CHG}} file.

----
[[The_VASP_Manual|Contents]]

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