Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680706e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111838229434397e-09 |
PASS |
| Energy [step 2] |
-1.058224115547150e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.176900851391110e-09 |
PASS |
| Energy [step 3] |
-1.058220088832299e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.607715263839964e-09 |
PASS |
| Energy [step 4] |
-1.058217201097769e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.245565759537385e-09 |
PASS |
| Forces [step 1] |
-2.249921906346397e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.578184690355428e-09 |
PASS |
| Forces [step 2] |
-2.378889629742000e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.910201771759823e-08 |
PASS |
| Forces [step 3] |
-2.490737613075433e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.847264719245789e-07 |
PASS |
| Forces [step 4] |
-2.574440120105425e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-2.668401747341065e-07 |
PASS |