sfBSE/output/Be/dBSE@G0W0_options

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2020-11-20 07:46:08 +01:00
# HF: maxSCF thresh DIIS n_diis guess_type ortho_type mix_guess
2000 0.0000001 T 10 1 1 T
# MP:
# CC: maxSCF thresh DIIS n_diis
64 0.0000001 T 5
# spin: TDA singlet triplet spin_conserved spin_flip
T T T F T
# GF: maxSCF thresh DIIS n_diis lin eta renorm
256 0.00001 T 5 T 0.0 3
# GW/GT: maxSCF thresh DIIS n_diis lin eta COHSEX SOSEX TDA_W G0W GW0
256 0.00001 T 5 T 0.00367493 F F F F F
# ACFDT: AC Kx XBS
F F T
# BSE: BSE dBSE dTDA evDyn
T T T F
# MCMP2: nMC nEq nWalk dt nPrint iSeed doDrift
1000000 100000 10 0.3 10000 1234 T