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 |
7.112250344221138e-09 |
PASS |
| Energy [step 2] |
-1.058224115551448e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.133920121304982e-09 |
PASS |
| Energy [step 3] |
-1.058220088796390e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.966804022567885e-09 |
PASS |
| Energy [step 4] |
-1.058217201026877e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.954484905146273e-09 |
PASS |
| Forces [step 1] |
-2.249921906286226e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.572167642384443e-09 |
PASS |
| Forces [step 2] |
-2.378889745569071e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-3.068472484435425e-08 |
PASS |
| Forces [step 3] |
-2.490737111509912e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.348830239751187e-07 |
PASS |
| Forces [step 4] |
-2.574431082462171e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
6.369241506987144e-07 |
PASS |