MSDGW SEED: Difference between revisions
(Created page with "{{TAGDEF|MSDGW_SEED|[integer]|2}} Description: Seed for pseudo orbitals used by mixed stochastic-deterministic compression algorithm.{{cite|altman:prl:2024}} ---- 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...") |
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== Related tags and articles== | == Related tags and articles== | ||
{{TAG|MSDGW_NXI}}, | |||
{{TAG|MSDGW_F}}, | {{TAG|MSDGW_F}}, | ||
{{TAG|MSDGW_NP}} | {{TAG|MSDGW_NP}} | ||
== References == | == References == | ||
<references/> | <references/> | ||
---- | ---- | ||
<!-- [[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]] --> | <!-- [[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]] --> | ||
Latest revision as of 14:38, 25 March 2025
MSDGW_SEED = [integer]
Default: MSDGW_SEED = 2
Description: Seed for pseudo orbitals used by mixed stochastic-deterministic compression algorithm.[1]
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].
Mind: Avaliable as of VASP.6.5.2.