Input 16-bomd.02-td.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2023a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269849e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013304995467479e-09 PASS
Energy [step 2] -1.058156234751241e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285494377611940e-09 PASS
Energy [step 3] -1.058143100023473e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484867340195706e-09 PASS
Energy [step 4] -1.058131935619357e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207725723404110e-09 PASS
Forces [step 1] -1.538554070055721e-01 -1.538555154672500e-01 1.190000000000000e-07 1.084616778612713e-07 PASS
Forces [step 2] -1.732298616199993e-01 -1.732297733830400e-01 9.710000000000000e-08 -8.823695929471853e-08 PASS
Forces [step 3] -1.918346851081122e-01 -1.918348057943300e-01 1.330000000000000e-07 1.206862177971502e-07 PASS
Forces [step 4] -2.092368786477554e-01 -2.092371340942830e-01 2.830000000000000e-07 2.554465275694806e-07 PASS
Compare to other inputs