Input 07-carbon_dojo_lda.01-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 |
-1.553559512500000e+02 |
-1.553559512000000e+02 |
7.770000000000000e-07 |
-5.000001124244591e-08 |
PASS |
| Eigenvalue [1up] |
-1.445184700000000e+01 |
-1.445184700000000e+01 |
7.230000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Occupation [1up] |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [1dn] |
-1.181256300000000e+01 |
-1.181256300000000e+01 |
5.910000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Occupation [1dn] |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [2up] |
-6.190701000000000e+00 |
-6.190701000000000e+00 |
3.100000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Occupation [2up] |
6.666670000000000e-01 |
6.666670000000000e-01 |
3.330000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [2dn] |
-3.800046000000000e+00 |
-3.800000000000000e+00 |
1.900000000000000e+00 |
-4.600000000021254e-05 |
PASS |
| Occupation [2dn] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [3up] |
-6.190701000000000e+00 |
-6.190701000000000e+00 |
3.100000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Occupation [3up] |
6.666670000000000e-01 |
6.666670000000000e-01 |
3.330000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [3dn] |
-3.800046000000000e+00 |
-3.800000000000000e+00 |
1.900000000000000e+00 |
-4.600000000021254e-05 |
PASS |
| Occupation [3dn] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4up] |
-6.190701000000000e+00 |
-6.190701000000000e+00 |
3.100000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Occupation [4up] |
6.666670000000000e-01 |
6.666670000000000e-01 |
3.330000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4dn] |
-3.800046000000000e+00 |
-3.800000000000000e+00 |
1.900000000000000e+00 |
-4.600000000021254e-05 |
PASS |
| Occupation [4dn] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |