Input 10-bomd.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058122523680679e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112104682960307e-09 |
PASS |
Energy [step 2] |
-1.058224115547710e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.171298221919642e-09 |
PASS |
Energy [step 3] |
-1.058220088751938e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.411324887129922e-09 |
PASS |
Energy [step 4] |
-1.058217200932095e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.902304505729262e-09 |
PASS |
Forces [step 1] |
-2.249921906394349e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.582979882376662e-09 |
PASS |
Forces [step 2] |
-2.378889625536552e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.868147289640909e-08 |
PASS |
Forces [step 3] |
-2.490734147091574e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
5.313248578053820e-07 |
PASS |
Forces [step 4] |
-2.574446647833247e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-9.196129569510880e-07 |
PASS |