Input 16-bomd.02-td.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828877e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010842964888070e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217472345160786e-09 | PASS |
| Energy [step 3] | -1.058145774227805e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509709773335089e-09 | PASS |
| Energy [step 4] | -1.058134610371110e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.338403497034960e-09 | PASS |
| Forces [step 1] | -1.538478572155771e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994439044998e-07 | PASS |
| Forces [step 2] | -1.732216535538109e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557399074933137e-08 | PASS |
| Forces [step 3] | -1.918267217242839e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697916398897160e-07 | PASS |
| Forces [step 4] | -2.092291812067276e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | -8.790201097563788e-08 | PASS |