Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198588679e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-6.589706558202124e-09 |
PASS |
| Energy [step 2] |
-1.058226791214382e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.037041089257400e-09 |
PASS |
| Energy [step 3] |
-1.058222763749005e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-2.418779843083030e-09 |
PASS |
| Energy [step 4] |
-1.058219875352632e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
3.026947581474815e-10 |
PASS |
| Forces [step 1] |
-2.249842035022246e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.288303848276058e-09 |
PASS |
| Forces [step 2] |
-2.378810625930597e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.241370334859049e-07 |
PASS |
| Forces [step 3] |
-2.490660699429245e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
7.506942385215876e-07 |
PASS |
| Forces [step 4] |
-2.574370146609175e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
2.916819211162824e-07 |
PASS |