2022-02-02 15:06:51 +01:00
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# HF: maxSCF thresh DIIS n_diis guess_type ortho_type mix_guess level_shift stability
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2022-11-28 10:52:06 +01:00
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512 0.0000001 T 0 1 1 F 0.0 F
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2019-03-13 16:15:53 +01:00
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# MP:
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2019-03-16 22:40:54 +01:00
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# CC: maxSCF thresh DIIS n_diis
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2022-09-28 16:09:09 +02:00
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64 0.0000001 T 5
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2020-10-05 23:00:56 +02:00
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# spin: TDA singlet triplet spin_conserved spin_flip
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2022-09-28 16:09:09 +02:00
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F T T T T
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2021-12-17 11:41:40 +01:00
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# GF: maxSCF thresh DIIS n_diis lin eta renorm reg
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2022-01-26 13:05:16 +01:00
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256 0.00001 T 5 T 0.0 3 F
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2021-12-17 11:41:40 +01:00
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# GW: maxSCF thresh DIIS n_diis lin eta COHSEX SOSEX TDA_W G0W GW0 reg
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2022-08-15 09:49:57 +02:00
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256 0.00001 T 5 T 0.0 F F F F F F
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2021-12-17 11:41:40 +01:00
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# GT: maxSCF thresh DIIS n_diis lin eta TDA_T reg
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2022-11-28 10:52:06 +01:00
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10 0.00001 T 5 T 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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2022-09-28 16:09:09 +02:00
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F T T
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2022-11-28 15:05:29 +01:00
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# BSE: BSE dBSE dTDA evDyn ppBSE BSE2
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T F T F F T
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2019-02-07 22:49:12 +01:00
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# MCMP2: nMC nEq nWalk dt nPrint iSeed doDrift
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1000000 100000 10 0.3 10000 1234 T
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