Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680667e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112232580652744e-09 |
PASS |
| Energy [step 2] |
-1.058224115547117e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.177225924692721e-09 |
PASS |
| Energy [step 3] |
-1.058220088832721e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.603489310919031e-09 |
PASS |
| Energy [step 4] |
-1.058217201100049e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.222771548574201e-09 |
PASS |
| Forces [step 1] |
-2.249921906374769e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.581021920806009e-09 |
PASS |
| Forces [step 2] |
-2.378889620668126e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.819463033014834e-08 |
PASS |
| Forces [step 3] |
-2.490740862866300e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.402526148275296e-07 |
PASS |
| Forces [step 4] |
-2.574436792181594e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.595220836125293e-08 |
PASS |