4
1
mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00

getting rid of G0W and GW0

This commit is contained in:
Pierre-Francois Loos 2022-11-30 16:41:43 +01:00
parent 61b9b9472c
commit 597c4a9885

View File

@ -8,8 +8,8 @@
F T T T T F T T T T
# GF: maxSCF thresh DIIS n_diis lin eta renorm reg # GF: maxSCF thresh DIIS n_diis lin eta renorm reg
256 0.00001 T 5 T 0.0 3 F 256 0.00001 T 5 T 0.0 3 F
# GW: maxSCF thresh DIIS n_diis lin eta COHSEX SOSEX TDA_W G0W GW0 reg # GW: maxSCF thresh DIIS n_diis lin eta COHSEX SOSEX TDA_W reg
256 0.00001 T 5 T 0.01 F F F F F F 256 0.00001 T 5 T 0.01 F F F F
# GT: maxSCF thresh DIIS n_diis lin eta TDA_T reg # GT: maxSCF thresh DIIS n_diis lin eta TDA_T reg
10 0.00001 T 5 T 0.0 F F 10 0.00001 T 5 T 0.0 F F
# ACFDT: AC Kx XBS # ACFDT: AC Kx XBS