Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138814e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908935728551114e-09 |
PASS |
| Energy [step 2] |
-1.058226789868544e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421338210633621e-09 |
PASS |
| Energy [step 3] |
-1.058222762691993e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.151340935569351e-09 |
PASS |
| Energy [step 4] |
-1.058219874464539e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
9.183626303865822e-09 |
PASS |
| Forces [step 1] |
-2.249842232065413e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041601285778349e-08 |
PASS |
| Forces [step 2] |
-2.378813082154851e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.214853918851677e-07 |
PASS |
| Forces [step 3] |
-2.490666041175857e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.165195773506934e-07 |
PASS |
| Forces [step 4] |
-2.574368553552179e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
4.509876207481334e-07 |
PASS |