Input 10-bomd.03-td_restart.inp

Commits > Commit 68887e7ef149674fa38f143e8d88a44249e6d867 > Run intel_omp_autotools: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125198717802e+01 -1.058125197929708e+01 8.700000000000000e-09 -7.880942121119006e-09 PASS
Energy [step 2] -1.058226791345243e+01 -1.058226790610678e+01 8.160000000000000e-09 -7.345645869349937e-09 PASS
Energy [step 3] -1.058222763895758e+01 -1.058222763507127e+01 9.060000000000000e-09 -3.886306387812510e-09 PASS
Energy [step 4] -1.058219875520666e+01 -1.058219875382902e+01 9.840000000000001e-09 -1.377639335942149e-09 PASS
Forces [step 1] -2.249842024225046e-01 -2.249842127905284e-01 1.150000000000000e-08 1.036802377285539e-08 PASS
Forces [step 2] -2.378810636286451e-01 -2.378811867300932e-01 1.360000000000000e-07 1.231014480629344e-07 PASS
Forces [step 3] -2.490660850108312e-01 -2.490668206371630e-01 1.380000000000000e-06 7.356263317936929e-07 PASS
Forces [step 4] -2.574378006260591e-01 -2.574373063428386e-01 2.150000000000000e-06 -4.942832205201420e-07 PASS
Compare to other inputs