Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525103087e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.111973232554192e-09 |
PASS |
| Energy [step 2] |
-1.058224116952781e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.879407266069393e-09 |
PASS |
| Energy [step 3] |
-1.058220090225274e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-7.322038086954308e-09 |
PASS |
| Energy [step 4] |
-1.058217202505475e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-8.831495534877831e-09 |
PASS |
| Forces [step 1] |
-2.249921734755655e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.580889526710322e-09 |
PASS |
| Forces [step 2] |
-2.378889011975433e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
4.267463898921520e-08 |
PASS |
| Forces [step 3] |
-2.490743574183365e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-4.113843213027213e-07 |
PASS |
| Forces [step 4] |
-2.574436801115715e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.505879629470357e-08 |
PASS |