Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680679e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112106459317147e-09 |
PASS |
| Energy [step 2] |
-1.058224115547575e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.172653582188104e-09 |
PASS |
| Energy [step 3] |
-1.058220088751368e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.417021663513879e-09 |
PASS |
| Energy [step 4] |
-1.058217200947545e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.747805869622425e-09 |
PASS |
| Forces [step 1] |
-2.249921906390784e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.582623417519031e-09 |
PASS |
| Forces [step 2] |
-2.378889623939811e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.852179878913951e-08 |
PASS |
| Forces [step 3] |
-2.490735247287524e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.213052628154745e-07 |
PASS |
| Forces [step 4] |
-2.574439489468752e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-2.037765074458520e-07 |
PASS |