Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717712e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.880037955487751e-09 |
PASS |
| Energy [step 2] |
-1.058226791345283e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.346047325995642e-09 |
PASS |
| Energy [step 3] |
-1.058222763976484e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.693569977121115e-09 |
PASS |
| Energy [step 4] |
-1.058219875664238e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-2.813361987819007e-09 |
PASS |
| Forces [step 1] |
-2.249842024201430e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.037038538376223e-08 |
PASS |
| Forces [step 2] |
-2.378810656448609e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.210852322852674e-07 |
PASS |
| Forces [step 3] |
-2.490664641822149e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
3.564549481138712e-07 |
PASS |
| Forces [step 4] |
-2.574367716743956e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
5.346684430196369e-07 |
PASS |