Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680721e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111685462746209e-09 |
PASS |
| Energy [step 2] |
-1.058224115547088e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.177515470857543e-09 |
PASS |
| Energy [step 3] |
-1.058220088841859e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.512106409672924e-09 |
PASS |
| Energy [step 4] |
-1.058217201123415e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
4.989107793562653e-09 |
PASS |
| Forces [step 1] |
-2.249921906350637e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.578608712284108e-09 |
PASS |
| Forces [step 2] |
-2.378889626083756e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.873619326353548e-08 |
PASS |
| Forces [step 3] |
-2.490738625223916e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
8.351162364417242e-08 |
PASS |
| Forces [step 4] |
-2.574434899551506e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.552152171819699e-07 |
PASS |