Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680653e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112372912843057e-09 |
PASS |
| Energy [step 2] |
-1.058224115552754e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.120855016751193e-09 |
PASS |
| Energy [step 3] |
-1.058220088779931e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.131387036451997e-09 |
PASS |
| Energy [step 4] |
-1.058217201004889e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.174367683797755e-09 |
PASS |
| Forces [step 1] |
-2.249921906464998e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.590044842105016e-09 |
PASS |
| Forces [step 2] |
-2.378889708861851e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-2.701400281246435e-08 |
PASS |
| Forces [step 3] |
-2.490737668601958e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.791738193646086e-07 |
PASS |
| Forces [step 4] |
-2.574432920670529e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
4.531033149235419e-07 |
PASS |