Input 01-casida.01-gs.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 |
-1.997082522000000e+01 |
-1.997082522000000e+01 |
9.990000000000000e-08 |
0.000000000000000e+00 |
PASS |
| HOMO-1 |
-4.412120000000000e-01 |
-4.412100000000000e-01 |
2.210000000000000e-04 |
-2.000000000002000e-06 |
PASS |
| HOMO |
-3.881860000000000e-01 |
-3.881840000000000e-01 |
1.940000000000000e-05 |
-2.000000000002000e-06 |
PASS |