Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198560040e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-6.303322308554016e-09 |
PASS |
| Energy [step 2] |
-1.058226791186719e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-5.760412591371278e-09 |
PASS |
| Energy [step 3] |
-1.058222763864780e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-3.576531071303179e-09 |
PASS |
| Energy [step 4] |
-1.058219875561486e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.785839032208969e-09 |
PASS |
| Forces [step 1] |
-2.249842037495466e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.040981768793088e-09 |
PASS |
| Forces [step 2] |
-2.378810652109485e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.215191446912733e-07 |
PASS |
| Forces [step 3] |
-2.490664361726524e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.844645106165778e-07 |
PASS |
| Forces [step 4] |
-2.574357521442625e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.554198576114718e-06 |
PASS |