Input 03-xc.gga_xc_hcth_147.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_xc_hcth_147 Eigenvalue up | -9.708480000000000e-01 | -9.948920000000000e-01 | 4.400000000000000e-05 | 2.404399999999995e-02 | FAIL |
gga_xc_hcth_147 Eigenvalue dn | -5.476350000000000e-01 | -8.743814999999999e-01 | 4.350000000000000e-05 | 3.267464999999999e-01 | FAIL |
gga_xc_hcth_147 Correlation | 0.000000000000000e+00 | -3.445545750000000e-01 | 4.040000000000000e-06 | 3.445545750000000e-01 | FAIL |
gga_xc_hcth_147 Int[n*v_xc] | 0.000000000000000e+00 | -4.369252250000000e-01 | 5.180000000000000e-06 | 4.369252250000000e-01 | FAIL |