2019-02-07 22:49:12 +01:00
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# RHF: maxSCF thresh DIIS n_diis guess_type ortho_type
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2019-09-22 21:15:53 +02:00
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64 0.0000001 T 5 2 1
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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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64 0.00001 F 1
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2019-02-07 22:49:12 +01:00
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# CIS/TDHF: singlet triplet
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2019-05-04 17:13:50 +02:00
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T T
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2019-02-07 22:49:12 +01:00
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# GF: maxSCF thresh DIIS n_diis renormalization
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2019-05-07 22:55:36 +02:00
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64 0.00001 T 10 3
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2019-09-22 21:15:53 +02:00
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# GW: maxSCF thresh DIIS n_diis COHSEX SOSEX BSE TDA G0W GW0 linearize eta
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256 0.00001 T 5 F F T F F F F 0.1
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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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