MSDGW SEED: Difference between revisions

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 $\lbrace |\xi_1\rangle, \cdots,|\xi_{N_\xi}\rangle \rbrace$ are determined from the original orbitals $\lbrace|\phi_1\rangle,\cdots,|\phi_N\rangle\rbrace$ by drawing $N_\xi \times N$ pseudo numbers $0\le \alpha_{i n}< 1$ and forming the linear combinations ${\displaystyle |\xi_i \rangle = \sum_{n=1}^{N} e^{i 2\pi \alpha_{in}}|\phi_n\rangle }$ .

Mind: Avaliable as of VASP.6.5.2.

References

↑ Altman, A. R. and Kundu, S. and da Jornada, F. H., Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations, Phys. Rev. Lett. 132, 086401 (2024).

[altman:prl:2024-1] Altman, A. R. and Kundu, S. and da Jornada, F. H., Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations, Phys. Rev. Lett. 132, 086401 (2024).

[1]

@@ Line 9: / Line 9: @@
 == Related tags and articles==
+{{TAG|MSDGW_NXI}},
 {{TAG|MSDGW_F}},
-{{TAG|MSDGW_SEED}},
 {{TAG|MSDGW_NP}}
 == References ==
 <references/>
 ----
 <!-- [[Category:INCAR]][[Category:GW]][[Category:Constrained-random-phase_approximation]] -->