From 3730372ed937d16d9db577ddb4f8ba786036c9ae Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 29 Oct 2018 18:38:09 +0100 Subject: [PATCH] Changed default in level shift --- src/Hartree_Fock/EZFIO.cfg | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Hartree_Fock/EZFIO.cfg b/src/Hartree_Fock/EZFIO.cfg index 239b8bfa..f5e26375 100644 --- a/src/Hartree_Fock/EZFIO.cfg +++ b/src/Hartree_Fock/EZFIO.cfg @@ -26,7 +26,7 @@ default: 500 type: Positive_float doc: Energy shift on the virtual MOs to improve SCF convergence interface: ezfio,provider,ocaml -default: 1.0 +default: 0.5 [scf_algorithm] type: character*(32)