Input 10-bomd.02-td.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058173966828875e+01 -1.058173966727794e+01 1.110000000000000e-09 -1.010812766821800e-09 PASS
Energy [step 2] -1.058158908445420e+01 -1.058158908323670e+01 1.340000000000000e-09 -1.217498990513377e-09 PASS
Energy [step 3] -1.058145774227792e+01 -1.058145773976836e+01 2.760000000000000e-09 -2.509558783003740e-09 PASS
Energy [step 4] -1.058134610373874e+01 -1.058134609837600e+01 6.140000000000000e-09 -5.362737809377904e-09 PASS
Forces [step 1] -1.538478572155707e-01 -1.538477490161310e-01 1.190000000000000e-07 -1.081994396856523e-07 PASS
Forces [step 2] -1.732216535537766e-01 -1.732217491278353e-01 1.050000000000000e-07 9.557405869498048e-08 PASS
Forces [step 3] -1.918267217133121e-01 -1.918264519676630e-01 2.970000000000000e-07 -2.697456490674544e-07 PASS
Forces [step 4] -2.092291851356217e-01 -2.092290828484236e-01 1.480000000000000e-07 -1.022871981559703e-07 PASS
Compare to other inputs