Input 16-bomd.02-td.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966626711e+01 -1.058173966727793e+01 1.110000000000000e-09 1.010823424962837e-09 PASS
Energy [step 2] -1.058158908201927e+01 -1.058158908323673e+01 1.340000000000000e-09 1.217461687019750e-09 PASS
Energy [step 3] -1.058145773725909e+01 -1.058145773976834e+01 2.760000000000000e-09 2.509251473270524e-09 PASS
Energy [step 4] -1.058134609279489e+01 -1.058134609837270e+01 6.140000000000000e-09 5.577811990065129e-09 PASS
Forces [step 1] -1.538476408166977e-01 -1.538477490161332e-01 1.190000000000000e-07 1.081994354668048e-07 PASS
Forces [step 2] -1.732218447021574e-01 -1.732217491278016e-01 1.050000000000000e-07 -9.557435579066187e-08 PASS
Forces [step 3] -1.918261822692354e-01 -1.918264519326440e-01 2.970000000000000e-07 2.696634085752603e-07 PASS
Forces [step 4] -2.092289487081544e-01 -2.092290824096458e-01 1.470000000000000e-07 1.337014914060131e-07 PASS
Compare to other inputs