Input 10-bomd.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058125198717584e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.878762531277061e-09 |
PASS |
Energy [step 2] |
-1.058226791345203e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345251518131590e-09 |
PASS |
Energy [step 3] |
-1.058222763949233e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.421055521675044e-09 |
PASS |
Energy [step 4] |
-1.058219875620462e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-2.375596608317210e-09 |
PASS |
Forces [step 1] |
-2.249842024253112e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036521718456029e-08 |
PASS |
Forces [step 2] |
-2.378810636658891e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.230642041050167e-07 |
PASS |
Forces [step 3] |
-2.490661465097004e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
6.741274626020921e-07 |
PASS |
Forces [step 4] |
-2.574378078263468e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
-5.014835081640356e-07 |
PASS |