Input 03-xc.gga_xc_hcth_407.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
gga_xc_hcth_407 Eigenvalue up | -9.731840000000000e-01 | -9.975035000000000e-01 | 4.340000000000000e-05 | 2.431949999999994e-02 | FAIL |
gga_xc_hcth_407 Eigenvalue dn | -5.351890000000000e-01 | -8.777904999999999e-01 | 4.350000000000000e-05 | 3.426014999999999e-01 | FAIL |
gga_xc_hcth_407 Correlation | 0.000000000000000e+00 | -3.465708850000000e-01 | 4.210000000000000e-06 | 3.465708850000000e-01 | FAIL |
gga_xc_hcth_407 Int[n*v_xc] | 0.000000000000000e+00 | -4.396959650000000e-01 | 5.190000000000000e-06 | 4.396959650000000e-01 | FAIL |