Input 16-bomd.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828878e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010848293958588e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217463463376589e-09 | PASS |
| Energy [step 3] | -1.058145774227817e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509830565600168e-09 | PASS |
| Energy [step 4] | -1.058134610394379e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.571084926714320e-09 | PASS |
| Forces [step 1] | -1.538478572155708e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994376317397e-07 | PASS |
| Forces [step 2] | -1.732216535538872e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557391442149843e-08 | PASS |
| Forces [step 3] | -1.918267217450915e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698124475231101e-07 | PASS |
| Forces [step 4] | -2.092292155348122e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.331251663627686e-07 | PASS |