Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680694e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111959021699477e-09 |
PASS |
| Energy [step 2] |
-1.058224115547518e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.173218463663034e-09 |
PASS |
| Energy [step 3] |
-1.058220088753851e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.392186418542224e-09 |
PASS |
| Energy [step 4] |
-1.058217200947740e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.745857206169603e-09 |
PASS |
| Forces [step 1] |
-2.249921906387643e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.582309335425364e-09 |
PASS |
| Forces [step 2] |
-2.378889623112202e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.843903787990264e-08 |
PASS |
| Forces [step 3] |
-2.490735650489901e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.809850251390579e-07 |
PASS |
| Forces [step 4] |
-2.574439393982687e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-1.942279008737557e-07 |
PASS |