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Commit f6f3e61c authored by Henning Glawe's avatar Henning Glawe
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remove LDA_X from optb88

parent 384278b2
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......@@ -702,6 +702,9 @@ EXCHANGE_GRADIENT_CORRECTION = [
'xc_terms': [{
'XC_functional_name': "GGA_X_OPTB88_VDW",
}],
'xc_terms_subtract': [{
'XC_functional_name': 'LDA_X',
}],
'xc_section_method': {
'x_qe_xc_igcx_name': "obk8",
'x_qe_xc_igcx_comment': "optB88 exchange",
......
......@@ -134,9 +134,6 @@ qe_xc: 0.00 OPTBK88 ( 1 4 23 1 0 0)
},
{
"XC_functional_name": "LDA_C_PW"
},
{
"XC_functional_name": "LDA_X"
}
]
qe_xc: 0.00 VDW-DF2 ( 0 413 0 2)
......@@ -583,9 +580,6 @@ qe_xc: 0.00 VDW-DF-OBK8 ( 1 4 23 0 1 0)
{
"XC_functional_name": "LDA_C_PW"
},
{
"XC_functional_name": "LDA_X"
},
{
"XC_functional_name": "x_qe_VDW_DF1"
}
......
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