Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680676e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112134881026577e-09 |
PASS |
| Energy [step 2] |
-1.058224115547984e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.168564408743805e-09 |
PASS |
| Energy [step 3] |
-1.058220088755002e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.380679178936589e-09 |
PASS |
| Energy [step 4] |
-1.058217200956461e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.658648743496087e-09 |
PASS |
| Forces [step 1] |
-2.249921906324596e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.576004628668699e-09 |
PASS |
| Forces [step 2] |
-2.378889657049817e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.183279940171090e-08 |
PASS |
| Forces [step 3] |
-2.490740942293849e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.481953696980121e-07 |
PASS |
| Forces [step 4] |
-2.574436358482886e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.093220791670291e-07 |
PASS |