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Commit ef04757d authored by Henning Glawe's avatar Henning Glawe
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remove LDA_X from HSE06

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......@@ -554,6 +554,9 @@ EXCHANGE_GRADIENT_CORRECTION = [
'xc_terms': [{
'XC_functional_name': "HYB_GGA_XC_HSE06",
}],
'xc_terms_subtract': [{
'XC_functional_name': 'LDA_X',
}],
'xc_section_method': {
'x_qe_xc_igcx_name': "hse",
'x_qe_xc_igcx_comment': "HSE screened exchange",
......
......@@ -994,9 +994,6 @@ qe_xc: 0.00 HSE ( 1 4 12 4 0 0)
},
{
"XC_functional_name": "LDA_C_PW"
},
{
"XC_functional_name": "LDA_X"
}
]
qe_xc: 0.00 SLA PW PBX PBC ( 1 4 3 4 0)
......@@ -1052,9 +1049,6 @@ qe_xc: 0.25 HSE ( 1 4 12 4 0 0)
},
{
"XC_functional_name": "LDA_C_PW"
},
{
"XC_functional_name": "LDA_X"
}
]
qe_xc: 0.25 PBE0 ( 6 4 8 4 0 0)
......
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