Commit d2e26743 authored by Henning Glawe's avatar Henning Glawe
Browse files

disable testing vdw-df2 with wrong definition in QE < 5.0.2

parent aa7717d5
......@@ -130,31 +130,6 @@ qe_xc: 0.00 OPTBK88 ( 1 4 23 1 0 0)
"XC_functional_name": "GGA_X_OPTB88_VDW"
}
]
qe_xc: 0.00 VDW-DF2 ( 0 413 0 2)
{
"XC_functional": "GGA_X_RPW86-1.000*LDA_X+VDW_C_DF2",
"x_qe_xc_icorr": 4,
"x_qe_xc_icorr_comment": "Perdew-Wang",
"x_qe_xc_icorr_name": "pw",
"x_qe_xc_igcx": 13,
"x_qe_xc_igcx_comment": "revised PW86",
"x_qe_xc_igcx_name": "rw86",
"x_qe_xc_inlc": 2,
"x_qe_xc_inlc_comment": "vdW-DF2",
"x_qe_xc_inlc_name": "vdw2"
}
[
{
"XC_functional_name": "GGA_X_RPW86"
},
{
"XC_functional_name": "LDA_X",
"XC_functional_weight": -1.0
},
{
"XC_functional_name": "VDW_C_DF2"
}
]
qe_xc: 0.00 SLA PW TPSS TPSS ( 1 4 0 0 0 1)
{
"XC_functional": "MGGA_C_TPSS+MGGA_X_TPSS",
......
......@@ -5,7 +5,8 @@
1 0.00 PZ ( 1 1 0 0 0)
2 0.00 PW86PBE ( 1 4 21 4 0 0)
2 0.00 OPTBK88 ( 1 4 23 1 0 0)
2 0.00 VDW-DF2 ( 0 413 0 2)
# # QE < 5.0.2 had a wrong definition of VDW-DF2
# 2 0.00 VDW-DF2 ( 0 413 0 2)
2 0.00 SLA PW TPSS TPSS ( 1 4 0 0 0 1)
2 0.00 WC ( 1 4 11 4 0 0)
2 0.00 REVPBE ( 1 4 4 4 0 0)
......
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