Input 02-xc_2d.gga_b88.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
GGA 2D B88 eigenvalue 1 up (libxc5) | 2.031570200000000e+01 | 7.582170000000000e-01 | 1.000000000000000e-04 | 1.955748500000000e+01 | FAIL |
GGA 2D B88 eigenvalue 2 up (libxc5) | 6.433620000000001e+01 | 9.341450000000000e-01 | 1.000000000000000e-04 | 6.340205500000000e+01 | FAIL |
GGA 2D B88 eigenvalue 1 dn | 2.057038000000000e+01 | 1.169397000000000e+00 | 1.000000000000000e-04 | 1.940098300000000e+01 | FAIL |
GGA 2D B88 eigenvalue 2 dn | 6.527344300000000e+01 | 1.224726000000000e+00 | 1.000000000000000e-04 | 6.404871700000000e+01 | FAIL |
GGA 2D B88 Exchange (libxc5) | -1.782508300000000e-01 | -6.547465600000000e-01 | 1.000000000000000e-04 | 4.764957300000000e-01 | FAIL |
GGA 2D B88 Int[n*v_xc] (libxc5) | -2.635468600000000e-01 | -9.617432100000000e-01 | 1.000000000000000e-04 | 6.981963499999999e-01 | FAIL |