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BSE2

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This commit is contained in:
Pierre-Francois Loos 2020-06-16 23:40:21 +02:00
parent 4569e15744
commit 9bde47178d
2 changed files with 7 additions and 7 deletions
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4
input/methods
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@ -11,9 +11,9 @@
# RPA RPAx ppRPA
F F F
# G0F2 evGF2 G0F3 evGF3
F F F F
T F F F
# G0W0 evGW qsGW
T F F
F F F
# G0T0 evGT qsGT
F F F
# MCMP2

10
input/options
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@ -5,11 +5,11 @@
# CC: maxSCF thresh DIIS n_diis
64 0.0000001 T 5
# spin: singlet triplet TDA
T T T
# GF: maxSCF thresh DIIS n_diis lin eta renorm
256 0.00001 T 5 T 0.00367493 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
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 T F F
# ACFDT: AC Kx XBS
F F T
# BSE: BSE dBSE dTDA evDyn