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nomad-lab
parser-fplo
Commits
a93d07df
Commit
a93d07df
authored
Dec 04, 2017
by
Henning Glawe
Browse files
fix XC settings for PBE
parent
4f66688e
Changes
1
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Inline
Side-by-side
parser/parser-fplo/parser_fplo_14.py
View file @
a93d07df
...
...
@@ -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'
},
],
...
...
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