Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102647e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.107569643949319e-09 |
PASS |
| Energy [step 2] |
-1.058224116957898e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.930580553898835e-09 |
PASS |
| Energy [step 3] |
-1.058220090182173e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-6.891033521583267e-09 |
PASS |
| Energy [step 4] |
-1.058217202401037e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-7.787109623791366e-09 |
PASS |
| Forces [step 1] |
-2.249921734896650e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.566789944097764e-09 |
PASS |
| Forces [step 2] |
-2.378889084485968e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
3.542358550934210e-08 |
PASS |
| Forces [step 3] |
-2.490733690246645e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
5.770093507162510e-07 |
PASS |
| Forces [step 4] |
-2.574446373712312e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-8.922008634670853e-07 |
PASS |