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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2020-01-23 21:22:41 +01:00
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64 0.0000001 T 5 1 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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2020-03-22 23:01:36 +01:00
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64 0.0000001 T 5
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2020-06-15 23:04:07 +02:00
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# spin: singlet triplet TDA
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2020-06-16 23:40:21 +02:00
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T T F
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2020-06-18 08:47:51 +02:00
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# GF: maxSCF thresh DIIS n_diis lin eta renorm
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2020-06-17 22:10:08 +02:00
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256 0.00001 T 5 T 0.00367493 3
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# GW/GT: maxSCF thresh DIIS n_diis lin eta COHSEX SOSEX TDA_W G0W GW0
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256 0.00001 T 5 T 0.00367493 F F T 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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2020-06-14 21:20:01 +02:00
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F F T
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2020-06-15 23:04:07 +02:00
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# BSE: BSE dBSE dTDA evDyn
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2020-06-18 08:47:51 +02:00
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T T F F
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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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