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quack/input/options
Pierre-Francois Loos 5b8c0d542c post-GHF methods
2023-10-26 18:00:16 +02:00

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# HF: maxSCF thresh DIIS guess mix_guess level_shift stability
10000 0.000001 5 2 0.0 0.0 T
# MP: reg
F
# CC: maxSCF thresh DIIS
64 0.0000001 5
# spin: TDA spin_conserved spin_flip
F T T
# GF: maxSCF thresh DIIS lin eta renorm reg
256 0.00001 5 F 0.0 0 F
# GW: maxSCF thresh DIIS lin eta TDA_W reg
256 0.00001 5 F 0.0 F F
# GT: maxSCF thresh DIIS lin eta TDA_T reg
256 0.00001 5 F 0.0 F F
# ACFDT: AC Kx XBS
F F T
# BSE: phBSE phBSE2 ppBSE dBSE dTDA
F F F F T