Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680710e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111797373227091e-09 |
PASS |
| Energy [step 2] |
-1.058224115548365e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.164750570609613e-09 |
PASS |
| Energy [step 3] |
-1.058220088730081e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.629887832649729e-09 |
PASS |
| Energy [step 4] |
-1.058217200920375e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
7.019513859063409e-09 |
PASS |
| Forces [step 1] |
-2.249921906315780e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.575123056075995e-09 |
PASS |
| Forces [step 2] |
-2.378889666701010e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.279791866399705e-08 |
PASS |
| Forces [step 3] |
-2.490735754643859e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.705696293432315e-07 |
PASS |
| Forces [step 4] |
-2.574452235380328e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-1.478367665064262e-06 |
PASS |