Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828873e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010802108680764e-09 |
PASS |
| Energy [step 2] |
-1.058158908445419e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217465239733428e-09 |
PASS |
| Energy [step 3] |
-1.058145774227678e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.508436125481239e-09 |
PASS |
| Energy [step 4] |
-1.058134610287885e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-4.506146566995994e-09 |
PASS |
| Forces [step 1] |
-1.538478572155713e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994380758289e-07 |
PASS |
| Forces [step 2] |
-1.732216535532792e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557452243513787e-08 |
PASS |
| Forces [step 3] |
-1.918267215643031e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.696316591110914e-07 |
PASS |
| Forces [step 4] |
-2.092290597804299e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
2.262921589002431e-08 |
PASS |