MSDGW SEED: Difference between revisions
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Description: Seed for pseudo orbitals used by mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}} | Description: Seed for pseudo orbitals used by mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}} | ||
{{Available|6.6.0}} | |||
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When set in combination with {{TAG|MSDGW_F}}, {{TAG|MSDGW_SEED}} changes the random phases of the stochastic orbitals determined by the compression algorithm. {{TAG|MSDGW_NXI}} stochastic orbitals <math>\lbrace |\xi_1\rangle, \cdots,|\xi_{N_\xi}\rangle \rbrace </math> are determined from the original orbitals <math>\lbrace|\phi_1\rangle,\cdots,|\phi_N\rangle\rbrace</math> by drawing <math>N_\xi \times N</math> pseudo numbers <math>0\le \alpha_{i n}< 1</math> and forming the linear combinations <math> | When set in combination with {{TAG|MSDGW_F}}, {{TAG|MSDGW_SEED}} changes the random phases of the stochastic orbitals determined by the compression algorithm. {{TAG|MSDGW_NXI}} stochastic orbitals <math>\lbrace |\xi_1\rangle, \cdots,|\xi_{N_\xi}\rangle \rbrace </math> are determined from the original orbitals <math>\lbrace|\phi_1\rangle,\cdots,|\phi_N\rangle\rbrace</math> by drawing <math>N_\xi \times N</math> pseudo numbers <math>0\le \alpha_{i n}< 1</math> and forming the linear combinations <math> | ||
|\xi_i \rangle = \sum_{n=1}^{N} e^{i 2\pi \alpha_{in}}|\phi_n\rangle | |\xi_i \rangle = \sum_{n=1}^{N} e^{i 2\pi \alpha_{in}}|\phi_n\rangle | ||
</math>. | </math>. | ||
== Related tags and articles== | == Related tags and articles== | ||
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<references/> | <references/> | ||
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[[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]] | |||
Latest revision as of 09:00, 29 January 2026
MSDGW_SEED = [integer]
Default: MSDGW_SEED = 2
Description: Seed for pseudo orbitals used by mixed stochastic-deterministic compression algorithm.[1]
| Mind: Available as of VASP 6.6.0 |
When set in combination with MSDGW_F, MSDGW_SEED changes the random phases of the stochastic orbitals determined by the compression algorithm. MSDGW_NXI stochastic orbitals [math]\displaystyle{ \lbrace |\xi_1\rangle, \cdots,|\xi_{N_\xi}\rangle \rbrace }[/math] are determined from the original orbitals [math]\displaystyle{ \lbrace|\phi_1\rangle,\cdots,|\phi_N\rangle\rbrace }[/math] by drawing [math]\displaystyle{ N_\xi \times N }[/math] pseudo numbers [math]\displaystyle{ 0\le \alpha_{i n}\lt 1 }[/math] and forming the linear combinations [math]\displaystyle{ |\xi_i \rangle = \sum_{n=1}^{N} e^{i 2\pi \alpha_{in}}|\phi_n\rangle }[/math].