Input 16-bomd.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058173966828875e+01 |
-1.058173966727793e+01 |
1.110000000000000e-09 |
-1.010823424962837e-09 |
PASS |
| Energy [step 2] |
-1.058158908445420e+01 |
-1.058158908323673e+01 |
1.340000000000000e-09 |
-1.217467016090268e-09 |
PASS |
| Energy [step 3] |
-1.058145774227729e+01 |
-1.058145773976834e+01 |
2.760000000000000e-09 |
-2.508949492607826e-09 |
PASS |
| Energy [step 4] |
-1.058134610351756e+01 |
-1.058134609837270e+01 |
6.140000000000000e-09 |
-5.144860537598106e-09 |
PASS |
| Forces [step 1] |
-1.538478572155829e-01 |
-1.538477490161332e-01 |
1.190000000000000e-07 |
-1.081994496776595e-07 |
PASS |
| Forces [step 2] |
-1.732216535535208e-01 |
-1.732217491278016e-01 |
1.050000000000000e-07 |
9.557428082285213e-08 |
PASS |
| Forces [step 3] |
-1.918267216323796e-01 |
-1.918264519326440e-01 |
2.970000000000000e-07 |
-2.696997355722264e-07 |
PASS |
| Forces [step 4] |
-2.092291531160494e-01 |
-2.092290824096458e-01 |
1.470000000000000e-07 |
-7.070640364870151e-08 |
PASS |