Fcc Ni - Revision history

Karsai: /* Download */

2019-11-14T13:22:30Z

Download

← Older revision		Revision as of 13:22, 14 November 2019
Line 53:		Line 53:

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

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

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

2019-11-14T08:34:53Z

Download

← Older revision		Revision as of 08:34, 14 November 2019
Line 50:		Line 50:

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

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

2019-06-07T13:21:06Z

← Older revision		Revision as of 13:21, 7 June 2019
Line 1:		Line 1:
	{{Template:Bulk_systems}}		{{Template:Bulk_systems - Tutorial}}

	== Task ==		== Task ==

2018-01-30T15:21:30Z

← Older revision		Revision as of 15:21, 30 January 2018
Line 29:		Line 29:
	*Default energy cutoff of 270 eV used ({{TAG\|ENCUT}}=270).		*Default energy cutoff of 270 eV used ({{TAG\|ENCUT}}=270).
	*MP smearing used since we have a metal.		*MP smearing used since we have a metal.
	*Spin-polarized calculation {{TAG\|ISPIN}}=2, initial moments of 1 ({{TAG\|~~MAMOM~~}}=1).		*Spin-polarized calculation {{TAG\|ISPIN}}=2, initial moments of 1 ({{TAG\|MAGMOM}}=1).
	*Static calculation.		*Static calculation.

2017-08-10T11:04:30Z

Download

← Older revision		Revision as of 11:04, 10 August 2017
Line 51:		Line 51:
	== Download ==		== Download ==
	[http://www.vasp.at/vasp-workshop/examples/fccNi.tgz fccNi.tgz]		[http://www.vasp.at/vasp-workshop/examples/fccNi.tgz fccNi.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]]

2017-07-04T11:08:32Z

Download

← Older revision		Revision as of 11:08, 4 July 2017
Line 52:		Line 52:
	[http://www.vasp.at/vasp-workshop/examples/fccNi.tgz fccNi.tgz]		[http://www.vasp.at/vasp-workshop/examples/fccNi.tgz fccNi.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]]

2017-05-12T10:50:38Z

Calculation

← Older revision		Revision as of 10:50, 12 May 2017
Line 47:		Line 47:

	*Here is a sample output of the results:		*Here is a sample output of the results:
	~~(figure missing)~~		[[File:Fig Ni 1.png\|800px]]

	== Download ==		== Download ==

2017-05-10T12:03:06Z

@@ Line 44: / Line 44: @@
 == Calculation ==
-The calculations are carried out in analogy to {{TAG|cd Si}}.
+*The calculations are carried out in analogy to {{TAG|cd Si}}. Please follow the instructions in that example.
-=== Volume relaxation ===
+*Here is a sample output of the results:
+(figure missing)
 == Download ==

2017-05-10T12:01:38Z

← Older revision		Revision as of 12:01, 10 May 2017
Line 29:		Line 29:
	*Default energy cutoff of 270 eV used ({{TAG\|ENCUT}}=270).		*Default energy cutoff of 270 eV used ({{TAG\|ENCUT}}=270).
	*MP smearing used since we have a metal.		*MP smearing used since we have a metal.
	*Spin-polarized calculation {{TAG\|ISPIN}}=2, initial moments of 1 ({{TAG\|MAMOM}}=1.		*Spin-polarized calculation {{TAG\|ISPIN}}=2, initial moments of 1 ({{TAG\|MAMOM}}=1).
	*Static calculation.		*Static calculation.

Line 44:		Line 44:
	== Calculation ==		== Calculation ==

			The calculations are carried out in analogy to {{TAG\|cd Si}}.

			=== Volume relaxation ===

2017-05-10T11:59:20Z

← Older revision		Revision as of 11:59, 10 May 2017
Line 40:		Line 40:

	*Equally spaced k mesh with 56 points in the IBZ.		*Equally spaced k mesh with 56 points in the IBZ.
	*Odd, <math>\~~Gamm~~</math>-centered mesh.		*Odd, <math>\Gamma</math>-centered mesh.

	== Calculation ==		== Calculation ==