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 |
-1.999888519000000e+01 |
-1.999888519000000e+01 |
1.000000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force |
3.762056790000000e-02 |
3.762056770000000e-02 |
1.880000000000000e-09 |
1.999999957313925e-10 |
PASS |
| Force Ion-ion |
-5.809717310000000e+00 |
-5.809717310000000e+00 |
2.900000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
4.691630580000000e+00 |
4.691630580000000e+00 |
2.350000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force NL |
1.155707270000000e+00 |
1.155707270000000e+00 |
5.780000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Force SCF |
3.267404850000000e-08 |
3.267404740000000e-08 |
1.000000000000000e-14 |
1.100000005313732e-15 |
PASS |