Spin-orbit coupling in a Ni monolayer - Revision history

Liebetreu: /* Calculation */

2026-04-14T11:59:00Z

Calculation

← Older revision		Revision as of 11:59, 14 April 2026
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	*From the energy difference of these calculations we see that the easy axis lies in plane:		*From the energy difference of these calculations we see that the easy axis lies in plane:
	<math>E_{\~~textrm~~{MAE}}=E(m_{\perp})-E(m_{\parallel})=1.2 \, \~~textrm~~{meV}</math>		:<math>E_{\mathrm{MAE}}=E(m_{\perp})-E(m_{\parallel})=1.2 \, \mathrm{meV}</math>

	== Download ==		== Download ==

Karsai: /* Download */

2019-11-14T14:18:46Z

Download

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

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

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

Karsai: /* Download */

2019-11-14T08:59:20Z

Download

← Older revision		Revision as of 08:59, 14 November 2019
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	== Download ==		== Download ==
	[~~http~~:~~//www.vasp.at/vasp-workshop/examples/4_4_SOI_Ni~~.tgz 4_4_SOI_Ni.tgz]		[[Media:4 4 SOI Ni.tgz\| 4_4_SOI_Ni.tgz]]

	{{Template:Magnetism}}		{{Template:Magnetism}}

Karsai: /* Download */

2017-08-10T11:12:38Z

Download

← Older revision		Revision as of 11:12, 10 August 2017
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	== Download ==		== Download ==
	[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Ni.tgz 4_4_SOI_Ni.tgz]		[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Ni.tgz 4_4_SOI_Ni.tgz]
	~~----~~
	~~[[VASP tutorials\|To the list of examples]] or~~ to the [[The_VASP_Manual\|main page]]		{{Template:Magnetism}}

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

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

Karsai: /* Download */

2017-07-04T11:12:34Z

Download

← Older revision		Revision as of 11:12, 4 July 2017
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	[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Ni.tgz 4_4_SOI_Ni.tgz]		[http://www.vasp.at/vasp-workshop/examples/4_4_SOI_Ni.tgz 4_4_SOI_Ni.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]]

Karsai: /* Calculation */

2017-06-13T12:34:23Z

Calculation

← Older revision		Revision as of 12:34, 13 June 2017
Line 58:		Line 58:

	*From the energy difference of these calculations we see that the easy axis lies in plane:		*From the energy difference of these calculations we see that the easy axis lies in plane:
	<math>E_{\textrm{~~MAX~~}}=E(m_{\perp})-E(m_{\parallel})=1.2 \, \textrm{meV}</math>		<math>E_{\textrm{MAE}}=E(m_{\perp})-E(m_{\parallel})=1.2 \, \textrm{meV}</math>

	== Download ==		== Download ==

Karsai: /* Calculation */

2017-06-13T12:34:05Z

Calculation

← Older revision		Revision as of 12:34, 13 June 2017
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	== Calculation ==		== Calculation ==

	The sample output for the total energy using out of plane magnetization is given in the {{TAG\|OSZICAR}} file:		*The sample output for the total energy using out of plane magnetization is given in the {{TAG\|OSZICAR}} file:
	...		...
	DAV: 20 -0.371322930070E+01 0.15852E-03 -0.11632E-03 636 0.235E-01 0.225E-02		DAV: 20 -0.371322930070E+01 0.15852E-03 -0.11632E-03 636 0.235E-01 0.225E-02
	DAV: 21 -0.371323204989E+01 -0.27492E-05 -0.13047E-05 500 0.184E-02		DAV: 21 -0.371323204989E+01 -0.27492E-05 -0.13047E-05 500 0.184E-02
	1 F= -.37132320E+01 E0= -.37139803E+01 d E =0.224478E-02 mag= 0.0000 0.0000 0.9035		1 F= -.37132320E+01 E0= -.37139803E+01 d E =0.224478E-02 mag= 0.0000 0.0000 0.9035
	The sample output for the total energy using in plane magnetization looks like the following:		*The sample output for the total energy using in plane magnetization looks like the following:
	...		...
	DAV: 19 -0.371443443024E+01 -0.80757E-04 -0.35822E-03 1084 0.323E-01 0.119E-02		DAV: 19 -0.371443443024E+01 -0.80757E-04 -0.35822E-03 1084 0.323E-01 0.119E-02
	DAV: 20 -0.371446032472E+01 -0.25894E-04 -0.42423E-05 916 0.263E-02		DAV: 20 -0.371446032472E+01 -0.25894E-04 -0.42423E-05 916 0.263E-02
	1 F= -.37144603E+01 E0= -.37150300E+01 d E =0.170900E-02 mag= 0.9049 0.0000 0.0000		1 F= -.37144603E+01 E0= -.37150300E+01 d E =0.170900E-02 mag= 0.9049 0.0000 0.0000

			*From the energy difference of these calculations we see that the easy axis lies in plane:
			<math>E_{\textrm{MAX}}=E(m_{\perp})-E(m_{\parallel})=1.2 \, \textrm{meV}</math>

	== Download ==		== Download ==

Karsai: /* Calculation */

2017-06-13T11:06:07Z

Calculation

← Older revision		Revision as of 11:06, 13 June 2017
Line 45:		Line 45:

	== Calculation ==		== Calculation ==

			The sample output for the total energy using out of plane magnetization is given in the {{TAG\|OSZICAR}} file:
			...
			DAV: 20 -0.371322930070E+01 0.15852E-03 -0.11632E-03 636 0.235E-01 0.225E-02
			DAV: 21 -0.371323204989E+01 -0.27492E-05 -0.13047E-05 500 0.184E-02
			1 F= -.37132320E+01 E0= -.37139803E+01 d E =0.224478E-02 mag= 0.0000 0.0000 0.9035
			The sample output for the total energy using in plane magnetization looks like the following:
			...
			DAV: 19 -0.371443443024E+01 -0.80757E-04 -0.35822E-03 1084 0.323E-01 0.119E-02
			DAV: 20 -0.371446032472E+01 -0.25894E-04 -0.42423E-05 916 0.263E-02
			1 F= -.37144603E+01 E0= -.37150300E+01 d E =0.170900E-02 mag= 0.9049 0.0000 0.0000

	== Download ==		== Download ==

Karsai: /* {{TAG|INCAR}} */

2017-06-13T10:59:04Z

← Older revision		Revision as of 10:59, 13 June 2017
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	*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).		*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).
	*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').		*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').
			*For the second calculation, switch to in-plane magnetization by setting {{TAG\|MAGMOM}} = 1.0 0.0 0.0 in the {{TAG\|INCAR}} file.

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

Karsai: /* {{TAG|INCAR}} */

2017-06-13T10:57:49Z

← Older revision		Revision as of 10:57, 13 June 2017
Line 32:		Line 32:

	*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).		*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).
	*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.''.		*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').

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

← Older revision		Revision as of 10:59, 13 June 2017
Line 33:		Line 33:
	*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).		*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).
	*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').		*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').
			*For the second calculation, switch to in-plane magnetization by setting {{TAG\|MAGMOM}} = 1.0 0.0 0.0 in the {{TAG\|INCAR}} file.

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

← Older revision		Revision as of 10:57, 13 June 2017
Line 32:		Line 32:

	*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).		*Initialization of moment along z-direction (out of plane) ({{TAG\|MAGMOM}} = 0.0 0.0 1.0).
	*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.''.		*Spin-orbit interaction switched on ({{TAG\|LSORBIT}}=''.TRUE.'').

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