Commit 9633976c authored by Henning Glawe's avatar Henning Glawe
Browse files

update testsuite ref log for b3lyp change

parent 49727393
......@@ -666,7 +666,7 @@ qe_xc: 0.20 B3LYP ( 7 12 9 7 0 0)
]
qe_xc: 0.00 B3LYP ( 7 12 9 7 0 0)
{
"XC_functional": "GGA_C_B3LYP_x_qe+GGA_X_B88",
"XC_functional": "0.810*GGA_C_LYP+GGA_X_B88+0.190*LDA_C_VWN",
"x_qe_xc_icorr": 12,
"x_qe_xc_icorr_comment": "B3LYP (0.19*vwn+0.81*lyp)",
"x_qe_xc_icorr_name": "b3lp",
......@@ -682,10 +682,15 @@ qe_xc: 0.00 B3LYP ( 7 12 9 7 0 0)
}
[
{
"XC_functional_name": "GGA_C_B3LYP_x_qe"
"XC_functional_name": "GGA_C_LYP",
"XC_functional_weight": 0.81
},
{
"XC_functional_name": "GGA_X_B88"
},
{
"XC_functional_name": "LDA_C_VWN",
"XC_functional_weight": 0.19
}
]
qe_xc: 0.00 SLA PW PBX PBC (1434)
......
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