Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680671e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112193500802277e-09 |
PASS |
| Energy [step 2] |
-1.058224115547673e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.171665927785398e-09 |
PASS |
| Energy [step 3] |
-1.058220088755713e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.373566646151630e-09 |
PASS |
| Energy [step 4] |
-1.058217200949593e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.727326251620980e-09 |
PASS |
| Forces [step 1] |
-2.249921906394300e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.582974969639778e-09 |
PASS |
| Forces [step 2] |
-2.378889625208290e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.864864673795097e-08 |
PASS |
| Forces [step 3] |
-2.490734739306138e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.721034014276704e-07 |
PASS |
| Forces [step 4] |
-2.574437847859336e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-3.961556582776637e-08 |
PASS |