2024-07-03 16:46:18 +02:00
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# HF: maxSCF thresh DIIS guess mix shift stab search
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256 0.00001 5 1 0.0 0.0 F F
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# MP: reg
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F
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# CC: maxSCF thresh DIIS
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64 0.00001 5
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2024-09-11 17:58:36 +02:00
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# LR: TDA singlet triplet
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2024-09-11 21:40:38 +02:00
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F T T
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2024-07-03 16:46:18 +02:00
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# GF: maxSCF thresh DIIS lin eta renorm reg
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256 0.00001 5 F 0.0 0 F
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# GW: maxSCF thresh DIIS lin eta TDA_W reg
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256 0.00001 5 F 0.0 F F
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# GT: maxSCF thresh DIIS lin eta TDA_T reg
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256 0.00001 5 F 0.0 F F
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# ACFDT: AC Kx XBS
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F F T
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# BSE: phBSE phBSE2 ppBSE dBSE dTDA
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2025-02-12 22:46:56 +01:00
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F F F F T
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# HFB: temperature sigma chem_pot_HF restart_HFB
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0.05 1.00 T F
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