Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058171294472507e+01 |
-1.058171294371180e+01 |
1.110000000000000e-09 |
-1.013271244687530e-09 |
PASS |
| Energy [step 2] |
-1.058156235008337e+01 |
-1.058156234879790e+01 |
1.410000000000000e-09 |
-1.285471284973028e-09 |
PASS |
| Energy [step 3] |
-1.058143100320452e+01 |
-1.058143100171960e+01 |
1.630000000000000e-09 |
-1.484915301830370e-09 |
PASS |
| Energy [step 4] |
-1.058131936460908e+01 |
-1.058131936040130e+01 |
4.630000000000000e-09 |
-4.207779014109292e-09 |
PASS |
| Forces [step 1] |
-1.538556239289463e-01 |
-1.538555154672500e-01 |
1.190000000000000e-07 |
-1.084616963464846e-07 |
PASS |
| Forces [step 2] |
-1.732296851462295e-01 |
-1.732297733830400e-01 |
9.710000000000000e-08 |
8.823681052483323e-08 |
PASS |
| Forces [step 3] |
-1.918349264766054e-01 |
-1.918348057943300e-01 |
1.330000000000000e-07 |
-1.206822753674341e-07 |
PASS |
| Forces [step 4] |
-2.092373896364658e-01 |
-2.092371340942830e-01 |
2.830000000000000e-07 |
-2.555421828587257e-07 |
PASS |