Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198720935e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.912271726695508e-09 |
PASS |
| Energy [step 2] |
-1.058226791348993e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.383150091300195e-09 |
PASS |
| Energy [step 3] |
-1.058222763900901e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-3.937735471026826e-09 |
PASS |
| Energy [step 4] |
-1.058219875542897e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.599953947106769e-09 |
PASS |
| Forces [step 1] |
-2.249842023714687e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.041905969834112e-08 |
PASS |
| Forces [step 2] |
-2.378810662186903e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.205114029401155e-07 |
PASS |
| Forces [step 3] |
-2.490660944205653e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
7.262165976906765e-07 |
PASS |
| Forces [step 4] |
-2.574367495353890e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
5.568074496475894e-07 |
PASS |