Input 12-absorption.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 |
| Initial energy |
-5.810136910000000e+00 |
-5.810136910000000e+00 |
2.910000000000000e-07 |
0.000000000000000e+00 |
PASS |
| IO Profiling files open |
4.500000000000000e+01 |
4.400000000000000e+01 |
2.200000000000000e+01 |
1.000000000000000e+00 |
PASS |
| IO Profiling files close |
4.600000000000000e+01 |
4.400000000000000e+01 |
2.200000000000000e+01 |
2.000000000000000e+00 |
PASS |