Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198652007e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.222995535016707e-09 |
PASS |
| Energy [step 2] |
-1.058226791301455e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.907768579367257e-09 |
PASS |
| Energy [step 3] |
-1.058222764081161e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.740343311799734e-09 |
PASS |
| Energy [step 4] |
-1.058219875919436e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-5.365343724861305e-09 |
PASS |
| Forces [step 1] |
-2.249842030674364e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.723091998203870e-09 |
PASS |
| Forces [step 2] |
-2.378811113464210e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
7.538367224890763e-08 |
PASS |
| Forces [step 3] |
-2.490666464018734e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
1.742352896128008e-07 |
PASS |
| Forces [step 4] |
-2.574371676501102e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.386927284130479e-07 |
PASS |