Commit a93d07df authored by Henning Glawe's avatar Henning Glawe
Browse files

fix XC settings for PBE

parent 4f66688e
......@@ -47,8 +47,6 @@ FPLO_XC_FUNCTIONAL = {
{ 'XC_functional_name': 'LDA_C_PW' },
],
'Perdew Burke Ernzerhof 96 (GGA)': [
{ 'XC_functional_name': 'LDA_X' },
{ 'XC_functional_name': 'LDA_C_PW' },
{ 'XC_functional_name': 'GGA_X_PBE' },
{ 'XC_functional_name': 'GGA_C_PBE' },
],
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment