Input 10-bomd.02-td.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > 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] -1.058156234751242e+01 -1.058156234879790e+01 1.410000000000000e-09 1.285481943114064e-09 PASS
Energy [step 3] -1.058143100023475e+01 -1.058143100171960e+01 1.630000000000000e-09 1.484854905697830e-09 PASS
Energy [step 4] -1.058131935619348e+01 -1.058131936040130e+01 4.630000000000000e-09 4.207825199387116e-09 PASS
Forces [step 1] -1.538554070055863e-01 -1.538555154672571e-01 1.190000000000000e-07 1.084616707558439e-07 PASS
Forces [step 2] -1.732298616200151e-01 -1.732297733830663e-01 9.710000000000000e-08 -8.823694880311095e-08 PASS
Forces [step 3] -1.918346850953094e-01 -1.918348057889193e-01 1.330000000000000e-07 1.206936098563371e-07 PASS
Forces [step 4] -2.092368774784934e-01 -2.092371333696214e-01 2.830000000000000e-07 2.558911279815224e-07 PASS
Compare to other inputs