Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680683e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112070932180359e-09 |
PASS |
| Energy [step 2] |
-1.058224115547208e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.176319982704626e-09 |
PASS |
| Energy [step 3] |
-1.058220088820174e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.728956947199549e-09 |
PASS |
| Energy [step 4] |
-1.058217201085676e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.366500133163754e-09 |
PASS |
| Forces [step 1] |
-2.249921906377664e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.581311411459680e-09 |
PASS |
| Forces [step 2] |
-2.378889620717383e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.819955602888612e-08 |
PASS |
| Forces [step 3] |
-2.490741193148303e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.732808151133636e-07 |
PASS |
| Forces [step 4] |
-2.574434483889987e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.967813690357701e-07 |
PASS |