Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680681e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112092248462432e-09 |
PASS |
| Energy [step 2] |
-1.058224115547035e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.178050154266202e-09 |
PASS |
| Energy [step 3] |
-1.058220088843416e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.496541971046099e-09 |
PASS |
| Energy [step 4] |
-1.058217201125072e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
4.972539713321567e-09 |
PASS |
| Forces [step 1] |
-2.249921906364956e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.580040622430118e-09 |
PASS |
| Forces [step 2] |
-2.378889621806616e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.830847926043155e-08 |
PASS |
| Forces [step 3] |
-2.490740009119775e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-5.487796234104891e-08 |
PASS |
| Forces [step 4] |
-2.574433894645050e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.557058628200771e-07 |
PASS |