NSTORB - Revision history

Liebetreu: Reverted edit by Liebetreu (talk) to last revision by Huebsch

2026-04-15T12:37:09Z

Reverted edit by Liebetreu (talk) to last revision by Huebsch

← Older revision		Revision as of 12:37, 15 April 2026
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	<math>		<math>
	\~~mathtt~~{NSTORB} = \sqrt{\~~mathtt~~{NBANDS}} \;.		\texttt{NSTORB} = \sqrt{\texttt{NBANDS}} \;.
	</math>		</math>

Liebetreu at 11:52, 14 April 2026

2026-04-14T11:52:28Z

← Older revision		Revision as of 11:52, 14 April 2026
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	<math>		<math>
	\~~texttt~~{NSTORB} = \sqrt{\~~texttt~~{NBANDS}} \;.		\mathtt{NSTORB} = \sqrt{\mathtt{NBANDS}} \;.
	</math>		</math>

Huebsch at 08:54, 21 February 2024

2024-02-21T08:54:52Z

← Older revision		Revision as of 08:54, 21 February 2024
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	----		----

	[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:MP2~~]][[Category:VASP6~~]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:MP2]]

Huebsch at 10:23, 19 July 2022

2022-07-19T10:23:45Z

← Older revision		Revision as of 10:23, 19 July 2022
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	----		----

	{{TAGBL\|NSTORB}} defines the number of stochastic orbitals per cycle, i.e. the number of stochastic orbitals that define one stochastic sample. If the sample is not large enough, the calculations is repeated until the accuracy, defined by ESTOP, is reached.		{{TAGBL\|NSTORB}} defines the number of stochastic orbitals per cycle, i.e., the number of stochastic orbitals that define one stochastic sample. If the sample is not large enough, the calculations are repeated until the accuracy, defined by ESTOP, is reached.

	As a rule of thumb we recommend ~~to set~~		As a rule of thumb, we recommend setting

	<math>		<math>
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	----		----

	[[Category:INCAR tag]][[Category:Many-~~Body Perturbation Theory~~]] [[Category:MP2]][[Category:VASP6]]		[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:MP2]][[Category:VASP6]]

Karsai: /* Related Tags and Sections */

2022-04-08T14:51:29Z

Related Tags and Sections

← Older revision		Revision as of 14:51, 8 April 2022
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	See [[Stochastic_LTMP2\|here]] for a small tutorial on stochastic Laplace transformed MP2 calculations.		See [[Stochastic_LTMP2\|here]] for a small tutorial on stochastic Laplace transformed MP2 calculations.

	== Related ~~Tags~~ and ~~Sections~~ ==		== Related tags and articles ==
	{{TAG\|NOMEGA}},		{{TAG\|NOMEGA}},
	{{TAG\|ESTOP}},		{{TAG\|ESTOP}},
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	----		----

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]]		[[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]]

Schlipf at 09:38, 9 September 2020

2020-09-09T09:38:15Z

← Older revision		Revision as of 09:38, 9 September 2020
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	----		----

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6~~]][[Category:Tutorials~~]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]]

Kaltakm: /* Related Tags and Sections */

2020-02-24T14:49:44Z

Related Tags and Sections

← Older revision		Revision as of 14:49, 24 February 2020
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	{{TAG\|LMP2LT}},		{{TAG\|LMP2LT}},
	{{TAG\|NBANDS}},		{{TAG\|NBANDS}},
			{{TAG\|KPAR}},
	{{TAG\|ALGO}}		{{TAG\|ALGO}}
	----		----

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]

Kaltakm at 14:41, 24 February 2020

2020-02-24T14:41:53Z

← Older revision		Revision as of 14:41, 24 February 2020
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	{{TAG\|NBANDS}},		{{TAG\|NBANDS}},
	{{TAG\|ALGO}}		{{TAG\|ALGO}}

	~~{{sc\|NSTORB\|Examples\|Examples that use this tag}}~~
	----		----

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]

Kaltakm at 14:41, 24 February 2020

2020-02-24T14:41:42Z

← Older revision		Revision as of 14:41, 24 February 2020
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	{{TAG\|ALGO}}		{{TAG\|ALGO}}

	{{sc\|~~NOMEGA~~\|Examples\|Examples that use this tag}}		{{sc\|NSTORB\|Examples\|Examples that use this tag}}
	----		----

	[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]		[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]

Kaltakm: Created page with "{{TAGDEF|NSTORB|[integer]}} {{DEF|NSTORB|-1|}} Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaef..."

2020-02-24T14:40:57Z

Created page with "{{TAGDEF|NSTORB|[integer]}} {{DEF|NSTORB|-1|}} Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaef..."

New page

{{TAGDEF|NSTORB|[integer]}}
{{DEF|NSTORB|-1|}}

Description: {{TAG|NSTORB}} specifies the number of stochastic orbitals per cycle in the stochastic MP2 algorithm.{{cite|Schaefer:JCP2017}}
----

{{TAGBL|NSTORB}} defines the number of stochastic orbitals per cycle, i.e. the number of stochastic orbitals that define one stochastic sample. If the sample is not large enough, the calculations is repeated until the accuracy, defined by ESTOP, is reached.

As a rule of thumb we recommend to set

<math>
\texttt{NSTORB} = \sqrt{\texttt{NBANDS}} \;.
</math>

See [[Stochastic_LTMP2|here]] for a small tutorial on stochastic Laplace transformed MP2 calculations.

== Related Tags and Sections ==
{{TAG|NOMEGA}},
{{TAG|ESTOP}},
{{TAG|LSMP2LT}},
{{TAG|LMP2LT}},
{{TAG|NBANDS}},
{{TAG|ALGO}}

{{sc|NOMEGA|Examples|Examples that use this tag}}
----

[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:MP2]][[Category:VASP6]][[Category:Tutorials]]