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Default level shift is 0.5 au

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Anthony Scemama 2015-11-27 09:03:03 +01:00
parent 8b664eb8f3
commit 627d405e54
1 changed files with 1 additions and 1 deletions
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plugins/Hartree_Fock/EZFIO.cfg
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@ -14,7 +14,7 @@ default: 200
type: Positive_float
doc: Energy shift on the virtual MOs to improve SCF convergence
interface: ezfio,provider,ocaml
default: 0.0
default: 0.5
[mo_guess_type]
type: MO_guess