Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680677e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112129551956059e-09 |
PASS |
| Energy [step 2] |
-1.058224115547135e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.177051841722459e-09 |
PASS |
| Energy [step 3] |
-1.058220088831270e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.618003922653770e-09 |
PASS |
| Energy [step 4] |
-1.058217201107520e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.148063308979545e-09 |
PASS |
| Forces [step 1] |
-2.249921906348364e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.578381421875392e-09 |
PASS |
| Forces [step 2] |
-2.378889630178634e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.914568109606662e-08 |
PASS |
| Forces [step 3] |
-2.490737530164756e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.930175396180900e-07 |
PASS |
| Forces [step 4] |
-2.574436890660580e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
5.610430975355740e-08 |
PASS |