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Commit e1e9f5bb authored by Henning Glawe's avatar Henning Glawe
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remove LDA_C_PW from pbesol gradient correction

parent bbfffdf2
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...@@ -887,6 +887,9 @@ CORRELATION_GRADIENT_CORRECTION = [ ...@@ -887,6 +887,9 @@ CORRELATION_GRADIENT_CORRECTION = [
'xc_terms': [{ 'xc_terms': [{
'XC_functional_name': "GGA_C_PBE_SOL", 'XC_functional_name': "GGA_C_PBE_SOL",
}], }],
'xc_terms_subtract': [{
'XC_functional_name': 'LDA_C_PW',
}],
'xc_section_method': { 'xc_section_method': {
'x_qe_xc_igcc_name': "psc", 'x_qe_xc_igcc_name': "psc",
'x_qe_xc_igcc_comment': "PBEsol corr", 'x_qe_xc_igcc_comment': "PBEsol corr",
......
...@@ -373,9 +373,6 @@ qe_xc: 0.00 PBESOL ( 1 4 10 8 0 0) ...@@ -373,9 +373,6 @@ qe_xc: 0.00 PBESOL ( 1 4 10 8 0 0)
}, },
{ {
"XC_functional_name": "GGA_X_PBE_SOL" "XC_functional_name": "GGA_X_PBE_SOL"
},
{
"XC_functional_name": "LDA_C_PW"
} }
] ]
qe_xc: 0.00 EV93 ( 1 4 25 0 0 0) qe_xc: 0.00 EV93 ( 1 4 25 0 0 0)
......
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