Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680711e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111788491442894e-09 |
PASS |
| Energy [step 2] |
-1.058224115547915e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.169250082483813e-09 |
PASS |
| Energy [step 3] |
-1.058220088753216e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.398538670599919e-09 |
PASS |
| Energy [step 4] |
-1.058217200943371e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.789548478991492e-09 |
PASS |
| Forces [step 1] |
-2.249921906396071e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.583152105723357e-09 |
PASS |
| Forces [step 2] |
-2.378889627672564e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.889507414420954e-08 |
PASS |
| Forces [step 3] |
-2.490733516679615e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
5.943660536800177e-07 |
PASS |
| Forces [step 4] |
-2.574434104387984e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.347315693513764e-07 |
PASS |