Input 12-forces.03-N2_gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.949769913000000e+01 |
-1.949769913000000e+01 |
9.750000000000001e-08 |
0.000000000000000e+00 |
PASS |
| Force |
-2.632309620000000e+00 |
-2.632309620000000e+00 |
1.320000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force Ion-ion |
-1.111111110000000e+01 |
-1.111111110000000e+01 |
5.559999999999999e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
5.501548650000000e+00 |
5.501548650000000e+00 |
2.750000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force NL |
2.977252870000000e+00 |
2.977252870000000e+00 |
1.490000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force SCF |
-2.650215780000000e-08 |
-2.650216245000000e-08 |
1.610000000000000e-14 |
4.649999999000745e-15 |
PASS |