Input 16-bomd.02-td.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828876e+01 -1.058173966727793e+01 1.110000000000000e-09 -1.010830530390194e-09 PASS
Energy [step 2] -1.058158908445419e+01 -1.058158908323673e+01 1.340000000000000e-09 -1.217459910662910e-09 PASS
Energy [step 3] -1.058145774227816e+01 -1.058145773976834e+01 2.760000000000000e-09 -2.509823460172811e-09 PASS
Energy [step 4] -1.058134610394440e+01 -1.058134609837270e+01 6.140000000000000e-09 -5.571697769823913e-09 PASS
Forces [step 1] -1.538478572155719e-01 -1.538477490161332e-01 1.190000000000000e-07 -1.081994386864515e-07 PASS
Forces [step 2] -1.732216535538625e-01 -1.732217491278016e-01 1.050000000000000e-07 9.557393909620515e-08 PASS
Forces [step 3] -1.918267217439416e-01 -1.918264519326440e-01 2.970000000000000e-07 -2.698112975541012e-07 PASS
Forces [step 4] -2.092292150131596e-01 -2.092290824096458e-01 1.470000000000000e-07 -1.326035138082826e-07 PASS
Compare to other inputs