Commit 926d68ba authored by Henning Glawe's avatar Henning Glawe
Browse files

map B3LYP with EXX_FRACTION==0 to GGA_XC_B3LYP_x_qe

parent 09ce24af
......@@ -1155,6 +1155,11 @@ LIBXC_SHORTCUT = {
'XC_functional_name': "HYB_GGA_XC_B3LYP",
}]
},
"0.810*GGA_C_LYP+GGA_X_B88+0.190*LDA_C_VWN": {
'xc_terms': [{
'XC_functional_name': "GGA_XC_B3LYP_x_qe",
}]
},
"GGA_C_PBE+0.750*GGA_X_PBE+0.250*HF_X": {
'xc_terms': [{
'XC_functional_name': "HYB_GGA_XC_PBEH",
......
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