Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680682e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112076261250877e-09 |
PASS |
| Energy [step 2] |
-1.058224115551793e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.130473989036545e-09 |
PASS |
| Energy [step 3] |
-1.058220088811197e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.818730469149159e-09 |
PASS |
| Energy [step 4] |
-1.058217201036643e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.856831464257084e-09 |
PASS |
| Forces [step 1] |
-2.249921906282254e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.571770376830656e-09 |
PASS |
| Forces [step 2] |
-2.378889753488214e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-3.147663915625820e-08 |
PASS |
| Forces [step 3] |
-2.490738022384243e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.437955909344701e-07 |
PASS |
| Forces [step 4] |
-2.574430517947328e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.933756350191445e-07 |
PASS |