LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
Code Issues Releases Wiki Activity

Changed default for level shift

Browse Source
This commit is contained in:
Anthony Scemama 2018-10-29 17:53:56 +01:00
parent 0a7b363c7d
commit 955f2b0b02
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/Hartree_Fock/EZFIO.cfg
View File

@ -26,7 +26,7 @@ default: 500
type: Positive_float type: Positive_float
doc: Energy shift on the virtual MOs to improve SCF convergence doc: Energy shift on the virtual MOs to improve SCF convergence
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: 0.1 default: 1.0
[scf_algorithm] [scf_algorithm]
type: character*(32) type: character*(32)