Input 10-bomd.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058122523680678e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112122446528701e-09 |
PASS |
Energy [step 2] |
-1.058224115547984e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.168564408743805e-09 |
PASS |
Energy [step 3] |
-1.058220088755003e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.380666744438713e-09 |
PASS |
Energy [step 4] |
-1.058217200957778e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.645482386602453e-09 |
PASS |
Forces [step 1] |
-2.249921906324587e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.576003740490279e-09 |
PASS |
Forces [step 2] |
-2.378889657052953e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.183311303971536e-08 |
PASS |
Forces [step 3] |
-2.490740942286335e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.481946182713134e-07 |
PASS |
Forces [step 4] |
-2.574436990950222e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
4.607534553890957e-08 |
PASS |