Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198718146e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.884384700673763e-09 |
PASS |
| Energy [step 2] |
-1.058226791345855e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.351767195018510e-09 |
PASS |
| Energy [step 3] |
-1.058222764032155e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.250280210589153e-09 |
PASS |
| Energy [step 4] |
-1.058219875779334e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-3.964320427485291e-09 |
PASS |
| Forces [step 1] |
-2.249842024197346e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.037079383481299e-08 |
PASS |
| Forces [step 2] |
-2.378810646233783e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.221067149337340e-07 |
PASS |
| Forces [step 3] |
-2.490664427049618e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.779322012287256e-07 |
PASS |
| Forces [step 4] |
-2.574374104861116e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-1.041432729498304e-07 |
PASS |