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quack/input/options

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2023-11-04 12:02:38 +01:00
# HF: maxSCF thresh DIIS guess mix shift stab search
2023-11-08 10:48:54 +01:00
10000 0.0000001 5 2 0.0 0.0 T 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
2023-11-06 11:07:20 +01:00
256 0.00001 5 F 0.0 0 F
# GW: maxSCF thresh DIIS lin eta TDA_W reg
2023-11-06 11:07:20 +01:00
256 0.00001 5 F 0.0 F F
# GT: maxSCF thresh DIIS lin eta TDA_T reg
2023-11-06 11:07:20 +01:00
256 0.00001 5 F 0.0 F F
2020-01-16 21:39:00 +01:00
# ACFDT: AC Kx XBS
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F F T
# BSE: phBSE phBSE2 ppBSE dBSE dTDA
2023-10-27 13:56:53 +02:00
F F F F T