Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717704e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.879958019429978e-09 |
PASS |
| Energy [step 2] |
-1.058226791345263e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345853703100147e-09 |
PASS |
| Energy [step 3] |
-1.058222763965557e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.584304491572766e-09 |
PASS |
| Energy [step 4] |
-1.058219875660284e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-2.773820284573958e-09 |
PASS |
| Forces [step 1] |
-2.249842024242042e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036632424344930e-08 |
PASS |
| Forces [step 2] |
-2.378810634783158e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.232517774230057e-07 |
PASS |
| Forces [step 3] |
-2.490661775790192e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
6.430581437899541e-07 |
PASS |
| Forces [step 4] |
-2.574365501085081e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
7.562343304901020e-07 |
PASS |