Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680692e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111982114338389e-09 |
PASS |
| Energy [step 2] |
-1.058224115550544e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.142958224903850e-09 |
PASS |
| Energy [step 3] |
-1.058220088799316e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.937543872709284e-09 |
PASS |
| Energy [step 4] |
-1.058217201031953e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.903729061174090e-09 |
PASS |
| Forces [step 1] |
-2.249921906438009e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.587345917687728e-09 |
PASS |
| Forces [step 2] |
-2.378889669452820e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-2.307309970861482e-08 |
PASS |
| Forces [step 3] |
-2.490736926615627e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.533724525188852e-07 |
PASS |
| Forces [step 4] |
-2.574443615355165e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-6.163651486978949e-07 |
PASS |