Input 16-bomd.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010821648605997e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217465239733428e-09 | PASS |
| Energy [step 3] | -1.058145774227812e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509782603965505e-09 | PASS |
| Energy [step 4] | -1.058134610396137e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.588670859424383e-09 | PASS |
| Forces [step 1] | -1.538478572155786e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994454310564e-07 | PASS |
| Forces [step 2] | -1.732216535538368e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557396485337932e-08 | PASS |
| Forces [step 3] | -1.918267217366777e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698040337256735e-07 | PASS |
| Forces [step 4] | -2.092292175778735e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | -1.242731569317534e-07 | PASS |