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 |
-1.999871879000000e+01 |
-1.999871879000000e+01 |
1.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force |
3.767790960000000e-02 |
3.767790960000000e-02 |
1.880000000000000e-09 |
-6.938893903907228e-18 |
PASS |
| Force Ion-ion |
-5.809717310000000e+00 |
-5.809717310000000e+00 |
2.900000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
4.691631240000000e+00 |
4.691631240000000e+00 |
2.350000000000000e-07 |
8.881784197001252e-16 |
PASS |
| Force NL |
1.155764000000000e+00 |
1.155764000000000e+00 |
5.780000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Force SCF |
-1.637532930000000e-08 |
-1.637532350000000e-08 |
6.050000000000000e-15 |
-5.800000001848873e-15 |
PASS |