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QuAcK/input/options

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# HF: maxSCF thresh DIIS guess mix_guess level_shift stability
2023-10-26 21:32:34 +02:00
1000 0.0000001 5 3 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
2020-01-16 21:39:00 +01:00
# ACFDT: AC Kx XBS
2023-07-21 10:21:54 +02:00
F F T
# BSE: phBSE phBSE2 ppBSE dBSE dTDA
2023-07-27 16:43:15 +02:00
F F F F T