Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717901e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.881931551878552e-09 |
PASS |
| Energy [step 2] |
-1.058226791345570e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.348916142291273e-09 |
PASS |
| Energy [step 3] |
-1.058222764033745e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.266182157015464e-09 |
PASS |
| Energy [step 4] |
-1.058219875809173e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.262707520297226e-09 |
PASS |
| Forces [step 1] |
-2.249842024217545e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036877389504198e-08 |
PASS |
| Forces [step 2] |
-2.378810644940678e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.222360253849697e-07 |
PASS |
| Forces [step 3] |
-2.490664450500898e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
3.755870731647626e-07 |
PASS |
| Forces [step 4] |
-2.574372707691692e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
3.557366945461382e-08 |
PASS |