Input 05-forces.02-Na2_go.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.260000000000000e-16 |
0.000000000000000e+00 |
PASS |
| Total energy |
-3.597996900000000e-01 |
-3.597996900000000e-01 |
1.800000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force [1] |
-2.707504170000000e-05 |
-2.707504170000000e-05 |
1.350000000000000e-12 |
3.388131789017201e-21 |
PASS |
| Force [2] |
2.707504170000000e-05 |
2.707504170000000e-05 |
1.350000000000000e-12 |
-3.388131789017201e-21 |
PASS |
| Geometry [1] |
-1.385549000000000e+00 |
-1.385549000000000e+00 |
6.930000000000000e-06 |
2.220446049250313e-16 |
PASS |
| Geometry [2] |
1.385549000000000e+00 |
1.385549000000000e+00 |
6.930000000000000e-06 |
-2.220446049250313e-16 |
PASS |