MSDGW NXI - Revision history

Csheldon at 09:00, 29 January 2026

2026-01-29T09:00:19Z

← Older revision		Revision as of 09:00, 29 January 2026
Line 16:		Line 16:
	<references/>		<references/>
	----		----
	~~<!--~~ [[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]] ~~-->~~		[[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]]

Csheldon at 09:00, 29 January 2026

2026-01-29T09:00:13Z

← Older revision		Revision as of 09:00, 29 January 2026
Line 2:		Line 2:

	Description: Number of pseudo orbitals per compressed energy of mixed stochastic-deterministic compression algorithm.{{cite\|altman:prl:2024}}		Description: Number of pseudo orbitals per compressed energy of mixed stochastic-deterministic compression algorithm.{{cite\|altman:prl:2024}}
			{{Available\|6.6.0}}
	----		----
	{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.		{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.
	~~{{NB\| mind \| Avaliable as of VASP.6.5.2.\|:}}~~

	==Use cases==		==Use cases==

Kaltakm: Kaltakm moved page Construction:MSDGW NXI to MSDGW NXI without leaving a redirect

2025-03-25T14:13:05Z

Kaltakm moved page Construction:MSDGW NXI to MSDGW NXI without leaving a redirect

← Older revision	Revision as of 14:13, 25 March 2025
(No difference)

Kaltakm at 14:12, 25 March 2025

2025-03-25T14:12:37Z

← Older revision		Revision as of 14:12, 25 March 2025
Line 4:		Line 4:
	----		----
	{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.		{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.
	{{NB\| mind \| Avaliable as of VASP ~~version >~~ 6.5.0.\|:}}		{{NB\| mind \| Avaliable as of VASP.6.5.2.\|:}}

	==Use cases==		==Use cases==

Kaltakm at 13:02, 18 February 2025

2025-02-18T13:02:08Z

← Older revision		Revision as of 13:02, 18 February 2025
Line 5:		Line 5:
	{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.		{{TAG\|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG\|MSDGW_NP}}. This tag is set in combination with {{TAG\|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG\|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG\|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG\|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG\|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG\|MSDGW_F}}.
	{{NB\| mind \| Avaliable as of VASP version > 6.5.0.\|:}}		{{NB\| mind \| Avaliable as of VASP version > 6.5.0.\|:}}

			==Use cases==
			The pseudo-random phases used to construct the stochastic orbitals are generated from the seed {{TAG\|MSDGW_SEED}}.

	== Related tags and articles==		== Related tags and articles==

Kaltakm: Created page with "{{TAGDEF|MSDGW_NXI|[integer]|2}} Description: Number of pseudo orbitals per compressed energy of mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}} ---- {{TAG|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG|MSDGW_NP}}. This tag is set in combination with {{TAG|MSDGW_F}}, the constant energy ratio $F$ of the compression algorithm. If a positive value of {{TAG|MSDGW_F}} is found..."

2025-02-18T12:36:56Z

Created page with "{{TAGDEF|MSDGW_NXI|[integer]|2}} Description: Number of pseudo orbitals per compressed energy of mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}} ---- {{TAG|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG|MSDGW_NP}}. This tag is set in combination with {{TAG|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG|MSDGW_F}} is found..."

New page

{{TAGDEF|MSDGW_NXI|[integer]|2}}

Description: Number of pseudo orbitals per compressed energy of mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}}
----
{{TAG|MSDGW_NXI}} sets the number of stochastic orbitals per energy in the unprotected space beyond band {{TAG|MSDGW_NP}}. This tag is set in combination with {{TAG|MSDGW_F}}, the constant energy ratio <math>F</math> of the compression algorithm. If a positive value of {{TAG|MSDGW_F}} is found, energies beyond the protected space defined by {{TAG|MSDGW_NP}} are subdivided into energy bins of width <math>\Delta E_i</math> and replaced by their average energy <math>E_i</math>, such that <math>F=\Delta E_i/E_i</math>. The original orbitals are replaced by {{TAG|MSDGW_NXI}} randomly linear combined orbitals. Larger values of {{TAG|MSDGW_NXI}} decrease the compression level and improve accuracy of results. The same holds true for smaller values of {{TAG|MSDGW_F}}.
{{NB| mind | Avaliable as of VASP version > 6.5.0.|:}}

== Related tags and articles==
{{TAG|MSDGW_F}},
{{TAG|MSDGW_SEED}},
{{TAG|MSDGW_NP}}
== References ==
<references/>
----