2023-11-14 14:37:17 +01:00
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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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2022-11-30 17:18:51 +01:00
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# MP: reg
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F
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2023-11-14 14:37:17 +01:00
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# CC: maxSCF thresh DIIS
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64 0.00001 5
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2023-11-13 16:15:15 +01:00
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# spin: TDA singlet triplet
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F T T
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2023-10-25 21:38:20 +02:00
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# GF: maxSCF thresh DIIS lin eta renorm reg
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2023-11-06 11:07:20 +01:00
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256 0.00001 5 F 0.0 0 F
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2023-10-25 21:38:20 +02:00
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# GW: maxSCF thresh DIIS lin eta TDA_W reg
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2023-11-14 14:37:17 +01:00
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256 0.00001 5 F 0.0 F F
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2023-10-25 21:38:20 +02:00
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# GT: maxSCF thresh DIIS lin eta TDA_T reg
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2023-11-13 18:36:09 +01:00
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256 0.00001 5 F 0.0 F F
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2020-01-16 21:39:00 +01:00
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# ACFDT: AC Kx XBS
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2023-07-21 10:21:54 +02:00
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F F T
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# BSE: phBSE phBSE2 ppBSE dBSE dTDA
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2023-10-27 13:56:53 +02:00
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F F F F T
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