Input 16-bomd.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269852e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013283679185406e-09 PASS
Energy [step 2] -1.058156234751243e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285471284973028e-09 PASS
Energy [step 3] -1.058143100023471e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484893985548297e-09 PASS
Energy [step 4] -1.058131935619302e+01 -1.058131936040130e+01 4.630000000000000e-09 4.208283499451682e-09 PASS
Forces [step 1] -1.538554070055848e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616652324843e-07 PASS
Forces [step 2] -1.732298616200699e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823702987714732e-08 PASS
Forces [step 3] -1.918346850903423e-01 -1.918348057943300e-01 1.330000000000000e-07 1.207039876660598e-07 PASS
Forces [step 4] -2.092368772955975e-01 -2.092371340942830e-01 2.830000000000000e-07 2.567986855384063e-07 PASS
Compare to other inputs