# RHF: maxSCF thresh DIIS n_diis guess_type ortho_type 64 0.0000001 T 5 1 1 # MP: # CC: maxSCF thresh DIIS n_diis 64 0.0000001 T 5 # spin: singlet triplet TDA T T F # 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 0.0 F F F F F # ACFDT: AC Kx XBS F F T # BSE: BSE dBSE dTDA evDyn F T F F # MCMP2: nMC nEq nWalk dt nPrint iSeed doDrift 1000000 100000 10 0.3 10000 1234 T