Input 10-bomd.03-td_restart.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.058122523680665e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112246791507459e-09 |
PASS |
Energy [step 2] |
-1.058224115547225e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.176147676091205e-09 |
PASS |
Energy [step 3] |
-1.058220088808370e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.847002964605053e-09 |
PASS |
Energy [step 4] |
-1.058217201067539e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.547871495537038e-09 |
PASS |
Forces [step 1] |
-2.249921906380430e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.581587968015114e-09 |
PASS |
Forces [step 2] |
-2.378889620958717e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.822368936310603e-08 |
PASS |
Forces [step 3] |
-2.490741245321664e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.784981512042982e-07 |
PASS |
Forces [step 4] |
-2.574431633170898e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
5.818532780033081e-07 |
PASS |