MSDGW SEED

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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.

Related tags and articles

MSDGW_NXI, MSDGW_F, MSDGW_NP

References