STM of graphene - Revision history

Karsai: /* Download */

2019-11-14T14:18:56Z

Download

← Older revision		Revision as of 14:18, 14 November 2019
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	{{Sur_sci}}		{{Sur_sci}}

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

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

2019-11-14T09:59:20Z

Download

← Older revision		Revision as of 09:59, 14 November 2019
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	== Download ==		== Download ==
	[~~http~~:~~//www.vasp.at/vasp-workshop/examples/~~Graphene_STM.tgz Graphene_STM.tgz]		[[Media:Graphene_STM.tgz\| Graphene_STM.tgz]]

	{{Sur_sci}}		{{Sur_sci}}

2019-06-07T13:36:20Z

2017-08-10T11:17:03Z

Download

← Older revision		Revision as of 11:17, 10 August 2017
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	== Download ==		== Download ==
	[http://www.vasp.at/vasp-workshop/examples/Graphene_STM.tgz Graphene_STM.tgz]		[http://www.vasp.at/vasp-workshop/examples/Graphene_STM.tgz Graphene_STM.tgz]
	~~----~~
	~~[[VASP tutorials\|To the list of examples]] or~~ to the [[The_VASP_Manual\|main page]]		{{Sur_sci}}

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

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

2017-07-04T11:16:00Z

Download

← Older revision		Revision as of 11:16, 4 July 2017
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	[http://www.vasp.at/vasp-workshop/examples/Graphene_STM.tgz Graphene_STM.tgz]		[http://www.vasp.at/vasp-workshop/examples/Graphene_STM.tgz Graphene_STM.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]]

2017-05-17T13:52:38Z

← Older revision		Revision as of 13:52, 17 May 2017
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	=== {{TAG\|INCAR}} ===		=== {{TAG\|INCAR}} ===
	general:		general:
	SYSTEM = Graphite surface slap		{{TAGBL\|SYSTEM}} = Graphite surface slap
	ENMAX = 400		{{TAGBL\|ENMAX}} = 400
	ISMEAR = 2 ; SIGMA = 0.2		{{TAGBL\|ISMEAR}} = 2 ; SIGMA = 0.2
	ALGO= Fast		{{TAGBL\|ALGO}} = Fast

	partial charge densities:		partial charge densities:
	LPARD = .TRUE.		{{TAGBL\|LPARD}} = .TRUE.
	LSEPK = .FALSE.		{{TAGBL\|LSEPK}} = .FALSE.
	LSEPB = .FALSE.		{{TAGBL\|LSEPB}} = .FALSE.
	NBMOD = -3		{{TAGBL\|NBMOD}} = -3
	EINT = -0.1 0.1		{{TAGBL\|EINT}} = -0.1 0.1

	#DOS:		#DOS:
	#ISTART = 0		#{{TAGBL\|ISTART}} = 0
	#ICHARG = 2		#{{TAGBL\|ICHARG}} = 2
	#LORBIT = 11		#{{TAGBL\|LORBIT}} = 11

	=== {{TAG\|KPOINTS}} ===		=== {{TAG\|KPOINTS}} ===

2017-05-17T11:00:23Z

← Older revision		Revision as of 11:00, 17 May 2017
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	== Input ==		== Input ==

	=== POSCAR ===		=== {{TAG\|POSCAR}} ===
	C: Graphite Lattice		C: Graphite Lattice
	1.0		1.0
Line 18:		Line 18:
	+0.0000000000 +1.4093387034 +0.0000000000		+0.0000000000 +1.4093387034 +0.0000000000

	=== INCAR ===		=== {{TAG\|INCAR}} ===
	general:		general:
	SYSTEM = Graphite surface slap		SYSTEM = Graphite surface slap
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	#LORBIT = 11		#LORBIT = 11

	=== KPOINTS ===		=== {{TAG\|KPOINTS}} ===
	K-Points		K-Points
	0		0

2017-05-17T10:59:08Z

INCAR

2017-05-17T10:58:54Z

Calculation

← Older revision		Revision as of 10:58, 17 May 2017
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	== Calculation ==		== Calculation ==

	*This example is carried out in complete analogy to {{TAG\|STM of graphite}}.		*This example is carried out in complete analogy to the example {{TAG\|STM of graphite}}.

	*The sample output for the graphite (left) and graphene (right) STM images should look like the following:		*The sample output for the graphite (left) and graphene (right) STM images should look like the following:

2017-05-17T10:58:37Z

Calculation

← Older revision		Revision as of 10:58, 17 May 2017
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	== Calculation ==		== Calculation ==

	*This example is carried out in complete analogy to .		*This example is carried out in complete analogy to {{TAG\|STM of graphite}}.

	*The sample output for the graphite (left) and graphene (right) STM images should look like the following:		*The sample output for the graphite (left) and graphene (right) STM images should look like the following: