Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717651e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.879433994162355e-09 |
PASS |
| Energy [step 2] |
-1.058226791345268e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345894559307453e-09 |
PASS |
| Energy [step 3] |
-1.058222763962963e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.558359023576486e-09 |
PASS |
| Energy [step 4] |
-1.058219875663723e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-2.808215882055265e-09 |
PASS |
| Forces [step 1] |
-2.249842024222777e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036825067468605e-08 |
PASS |
| Forces [step 2] |
-2.378810651230396e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.216070536491642e-07 |
PASS |
| Forces [step 3] |
-2.490663128338061e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
5.078033569472229e-07 |
PASS |
| Forces [step 4] |
-2.574366535242112e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
6.528186273779824e-07 |
PASS |