Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680672e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112181066304402e-09 |
PASS |
| Energy [step 2] |
-1.058224115547321e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.175188443397928e-09 |
PASS |
| Energy [step 3] |
-1.058220088768201e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.248686983984953e-09 |
PASS |
| Energy [step 4] |
-1.058217201042119e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.802073488325732e-09 |
PASS |
| Forces [step 1] |
-2.249921906340699e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.577614923899191e-09 |
PASS |
| Forces [step 2] |
-2.378889637234013e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.985121902969844e-08 |
PASS |
| Forces [step 3] |
-2.490736714892036e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.745448116070470e-07 |
PASS |
| Forces [step 4] |
-2.574435990380771e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.461322907125862e-07 |
PASS |