Input 03-vdw_sternheimer.01-ground_state.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Total energy | -2.844773730000000e+00 | -2.844783760000000e+00 | 1.000000000000000e-04 | 1.002999999988319e-05 | PASS |
HOMO | -5.722020000000000e-01 | -5.722150000000000e-01 | 1.000000000000000e-04 | 1.300000000004076e-05 | PASS |