Input 16-bomd.02-td.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010819872249158e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217472345160786e-09 | PASS |
| Energy [step 3] | -1.058145774227796e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509624508206798e-09 | PASS |
| Energy [step 4] | -1.058134610371884e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.346139531070548e-09 | PASS |
| Forces [step 1] | -1.538478572155429e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994097373862e-07 | PASS |
| Forces [step 2] | -1.732216535537611e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557404048732288e-08 | PASS |
| Forces [step 3] | -1.918267217210049e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697883608737683e-07 | PASS |
| Forces [step 4] | -2.092291822893486e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | -8.898463205175844e-08 | PASS |