Input 12-forces.01-N2_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 |
-1.983280613000000e+01 |
-1.983280613000000e+01 |
9.920000000000000e-08 |
-3.552713678800501e-15 |
PASS |
| Force |
3.186355770000000e-01 |
3.186355770000000e-01 |
1.590000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force Ion-ion |
-3.429355280000000e+00 |
-3.429355280000000e+00 |
1.710000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
3.224262090000000e+00 |
3.224262090000000e+00 |
1.610000000000000e-07 |
-4.440892098500626e-16 |
PASS |
| Force NL |
5.237287580000000e-01 |
5.237287580000000e-01 |
1.000000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force SCF |
1.147459450000000e-08 |
1.147459600000000e-08 |
4.750000000000000e-14 |
-1.499999998823796e-15 |
PASS |