Input 10-bomd.03-td_restart.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run intel_omp_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125198643388e+01 -1.058125197929708e+01 8.700000000000000e-09 -7.136804924812168e-09 PASS
Energy [step 2] -1.058226791295455e+01 -1.058226790610678e+01 8.160000000000000e-09 -6.847773903473353e-09 PASS
Energy [step 3] -1.058222764039595e+01 -1.058222763507127e+01 9.060000000000000e-09 -5.324677587736915e-09 PASS
Energy [step 4] -1.058219875794837e+01 -1.058219875382902e+01 9.840000000000001e-09 -4.119350194287108e-09 PASS
Forces [step 1] -2.249842031506293e-01 -2.249842127905284e-01 1.150000000000000e-08 9.639899156699272e-09 PASS
Forces [step 2] -2.378811169488229e-01 -2.378811867300932e-01 1.360000000000000e-07 6.978127031764814e-08 PASS
Forces [step 3] -2.490665463617233e-01 -2.490668206371630e-01 1.230000000000000e-06 2.742754397211389e-07 PASS
Forces [step 4] -2.574368039227110e-01 -2.574373063428386e-01 2.150000000000000e-06 5.024201276127016e-07 PASS
Compare to other inputs