Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294269852e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
1.013281902828567e-09 |
PASS |
| Energy [step 2] |
-1.058156234751243e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
1.285473061329867e-09 |
PASS |
| Energy [step 3] |
-1.058143100023473e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
1.484869116552545e-09 |
PASS |
| Energy [step 4] |
-1.058131935619325e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
4.208052573062560e-09 |
PASS |
| Forces [step 1] |
-1.538554070055790e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
1.084616709501329e-07 |
PASS |
| Forces [step 2] |
-1.732298616200330e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
-8.823699301774290e-08 |
PASS |
| Forces [step 3] |
-1.918346851059687e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
1.206883612492327e-07 |
PASS |
| Forces [step 4] |
-2.092368786270946e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
2.554671883758797e-07 |
PASS |