Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198716060e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.863523165951847e-09 |
PASS |
| Energy [step 2] |
-1.058226791421465e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-8.107866378281869e-09 |
PASS |
| Energy [step 3] |
-1.058222764260696e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-7.535694734883691e-09 |
PASS |
| Energy [step 4] |
-1.058219876107230e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-7.243279753765819e-09 |
PASS |
| Forces [step 1] |
-2.249842024015594e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.038896899063779e-08 |
PASS |
| Forces [step 2] |
-2.378812275610032e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-4.083090998641126e-08 |
PASS |
| Forces [step 3] |
-2.490666516605571e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
1.689766059020936e-07 |
PASS |
| Forces [step 4] |
-2.574372189939233e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
8.734891532302669e-08 |
PASS |