Input 10-bomd.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058122523680646e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112438638046115e-09 |
PASS |
Energy [step 2] |
-1.058224115553117e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.117233025155656e-09 |
PASS |
Energy [step 3] |
-1.058220088777444e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.156257808560440e-09 |
PASS |
Energy [step 4] |
-1.058217200983953e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.383732653603147e-09 |
PASS |
Forces [step 1] |
-2.249921906468876e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.590432615251942e-09 |
PASS |
Forces [step 2] |
-2.378889715469414e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.767475915099737e-08 |
PASS |
Forces [step 3] |
-2.490737612213838e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.848126313652720e-07 |
PASS |
Forces [step 4] |
-2.574443325162831e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-5.873459152927474e-07 |
PASS |