Input 10-bomd.02-td.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058171294269850e+01 -1.058171294371180e+01 1.110000000000000e-09 1.013296113683282e-09 PASS
Energy [step 2] -1.058156234751240e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285497930325619e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484854905697830e-09 PASS
Energy [step 4] -1.058131935619341e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207892700947014e-09 PASS
Forces [step 1] -1.538554070055648e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616923219262e-07 PASS
Forces [step 2] -1.732298616200286e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823696232007627e-08 PASS
Forces [step 3] -1.918346850869036e-01 -1.918348057889193e-01 1.330000000000000e-07 1.207020157156791e-07 PASS
Forces [step 4] -2.092368766639157e-01 -2.092371333696214e-01 2.830000000000000e-07 2.567057056646060e-07 PASS
Compare to other inputs