Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680640e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112495481464975e-09 |
PASS |
| Energy [step 2] |
-1.058224115554760e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.100798171677525e-09 |
PASS |
| Energy [step 3] |
-1.058220088763032e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.300380744368340e-09 |
PASS |
| Energy [step 4] |
-1.058217201009409e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.129166507662376e-09 |
PASS |
| Forces [step 1] |
-2.249921906484022e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.591947209257711e-09 |
PASS |
| Forces [step 2] |
-2.378889745375503e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-3.066536799489761e-08 |
PASS |
| Forces [step 3] |
-2.490732412256595e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
7.048083557059659e-07 |
PASS |
| Forces [step 4] |
-2.574445038264910e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-7.586561232009181e-07 |
PASS |