Input 05-forces.02-Na2_go.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Total energy |
-3.599781000000000e-01 |
-3.599781000000000e-01 |
1.800000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Force [1] |
-3.922076660000000e-04 |
-3.922076660000000e-04 |
1.960000000000000e-11 |
5.421010862427522e-20 |
PASS |
| Force [2] |
3.922076660000000e-04 |
3.922076660000000e-04 |
1.960000000000000e-11 |
-5.421010862427522e-20 |
PASS |
| Geometry [1] |
-1.380886000000000e+00 |
-1.380886000000000e+00 |
6.900000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Geometry [2] |
1.380886000000000e+00 |
1.380886000000000e+00 |
6.900000000000000e-06 |
0.000000000000000e+00 |
PASS |