Input 12-forces.02-N2_gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
4.750000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.999881799000000e+01 |
-1.999881799000000e+01 |
1.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force |
3.759629730000000e-02 |
3.759629730000000e-02 |
1.880000000000000e-09 |
0.000000000000000e+00 |
PASS |
| Force Ion-ion |
-5.809717310000000e+00 |
-5.809717310000000e+00 |
2.900000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
4.691603320000000e+00 |
4.691603320000000e+00 |
4.690000000000000e-14 |
-8.881784197001252e-16 |
PASS |
| Force NL |
1.155710260000000e+00 |
1.155710260000000e+00 |
5.780000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force SCF |
3.262581460000000e-08 |
3.262581120000000e-08 |
1.400000000000000e-14 |
3.400000004392545e-15 |
PASS |