Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680697e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111927047276367e-09 |
PASS |
| Energy [step 2] |
-1.058224115548983e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.158574177879018e-09 |
PASS |
| Energy [step 3] |
-1.058220088766086e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.269836288514853e-09 |
PASS |
| Energy [step 4] |
-1.058217200965269e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.570566313257586e-09 |
PASS |
| Forces [step 1] |
-2.249921906416675e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.585212513123608e-09 |
PASS |
| Forces [step 2] |
-2.378889643610431e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.048886083017010e-08 |
PASS |
| Forces [step 3] |
-2.490738024954697e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.435385454939819e-07 |
PASS |
| Forces [step 4] |
-2.574433851275675e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.600428002403788e-07 |
PASS |