Fcc Si bandstructure - Revision history

Schlipf: /* CALCULATION */

2020-02-21T08:15:33Z

CALCULATION

← Older revision		Revision as of 08:15, 21 February 2020
Line 55:		Line 55:
	== CALCULATION ==		== CALCULATION ==

	*To copy the self-consistent charge density of example fccSidos to your current working		*To copy the self-consistent charge density of example fccSidos to your current working directory, type:
	directory, type: $ cp ../fccSidos/CHGCAR . You must do this otherwise VASP can not read the {{TAG\|CHGCAR}} and will terminate.		cp ../fccSidos/CHGCAR .
			* You must do this otherwise VASP can not read the {{TAG\|CHGCAR}} and will terminate.

	*To plot the bandstructure use p4vasp:		*To plot the bandstructure use p4vasp:

2019-11-14T13:25:02Z

Download

← Older revision		Revision as of 13:25, 14 November 2019
Line 67:		Line 67:

	{{Template:Bulk_systems}}		{{Template:Bulk_systems}}

	~~Back to the [[The_VASP_Manual\|main page]].~~

	[[Category:Examples]]		[[Category:Examples]]

2019-11-14T08:30:39Z

Download

← Older revision		Revision as of 08:30, 14 November 2019
Line 64:		Line 64:

	== Download ==		== Download ==
	[~~http~~:~~//www.vasp.at/vasp-workshop/examples/fccSiband~~.tgz fccSiband.tgz]		[[Media:FccSiband.tgz\| fccSiband.tgz]]

	{{Template:Bulk_systems}}		{{Template:Bulk_systems}}

2019-06-07T13:20:30Z

← Older revision		Revision as of 13:20, 7 June 2019
Line 1:		Line 1:
	{{Template:Bulk_systems}}		{{Template:Bulk_systems - Tutorial}}

	== Task ==		== Task ==

2017-08-10T11:03:26Z

Download

← Older revision		Revision as of 11:03, 10 August 2017
Line 65:		Line 65:
	== Download ==		== Download ==
	[http://www.vasp.at/vasp-workshop/examples/fccSiband.tgz fccSiband.tgz]		[http://www.vasp.at/vasp-workshop/examples/fccSiband.tgz fccSiband.tgz]
	~~----~~
	~~[[VASP tutorials\|To the list of examples]] or~~ to the [[The_VASP_Manual\|main page]]		{{Template:Bulk_systems}}

			Back to the [[The_VASP_Manual\|main page]].

	[[Category:Examples]]		[[Category:Examples]]

2017-07-04T11:06:23Z

Download

← Older revision		Revision as of 11:06, 4 July 2017
Line 66:		Line 66:
	[http://www.vasp.at/vasp-workshop/examples/fccSiband.tgz fccSiband.tgz]		[http://www.vasp.at/vasp-workshop/examples/fccSiband.tgz fccSiband.tgz]
	----		----
	[[~~VASP_example_calculations~~\|To the list of examples]] or to the [[The_VASP_Manual\|main page]]		[[VASP tutorials\|To the list of examples]] or to the [[The_VASP_Manual\|main page]]

	[[Category:Examples]]		[[Category:Examples]]

2017-05-12T09:56:15Z

CALCULATION

← Older revision		Revision as of 09:56, 12 May 2017
Line 59:		Line 59:

	*To plot the bandstructure use p4vasp:		*To plot the bandstructure use p4vasp:
	[[File:Fig Si 6.png\|~~600px~~]]		[[File:Fig Si 6.png\|800px]]

	'''Mind''': For this calculations you need the {{FILE\|CHGCAR}} file of the [[Fcc Si DOS\|fcc Si DOS example]].		'''Mind''': For this calculations you need the {{FILE\|CHGCAR}} file of the [[Fcc Si DOS\|fcc Si DOS example]].

2017-05-12T09:56:06Z

CALCULATION

← Older revision		Revision as of 09:56, 12 May 2017
Line 58:		Line 58:
	directory, type: $ cp ../fccSidos/CHGCAR . You must do this otherwise VASP can not read the {{TAG\|CHGCAR}} and will terminate.		directory, type: $ cp ../fccSidos/CHGCAR . You must do this otherwise VASP can not read the {{TAG\|CHGCAR}} and will terminate.

	*~~Start~~ p4vasp:		*To plot the bandstructure use p4vasp:
	~~> p4v~~ [~~vasprun~~.~~xml~~]		[[File:Fig Si 6.png\|600px]]
	~~(figure missing)~~

	'''Mind''': For this calculations you need the {{FILE\|CHGCAR}} file of the [[Fcc Si DOS\|fcc Si DOS example]].		'''Mind''': For this calculations you need the {{FILE\|CHGCAR}} file of the [[Fcc Si DOS\|fcc Si DOS example]].

2017-05-12T09:53:58Z

← Older revision		Revision as of 09:53, 12 May 2017
Line 47:		Line 47:
	*All points with weight 1.		*All points with weight 1.
	*Example bandstructure should look like this:		*Example bandstructure should look like this:
	[[File:Fig Si 5.png\|~~400px~~]]		[[File:Fig Si 5.png\|300px]]

	=== {{TAG\|CHGCAR}} ===		=== {{TAG\|CHGCAR}} ===

2017-05-12T09:53:48Z

← Older revision		Revision as of 09:53, 12 May 2017
Line 47:		Line 47:
	*All points with weight 1.		*All points with weight 1.
	*Example bandstructure should look like this:		*Example bandstructure should look like this:
	~~(figure missing)~~		[[File:Fig Si 5.png\|400px]]

	=== {{TAG\|CHGCAR}} ===		=== {{TAG\|CHGCAR}} ===