Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Run GCI_foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128272e+02 -3.184216450128310e+02 6.500000000000000e-12 3.751665644813329e-12 PASS
Energy [step 20] -3.184094654954772e+02 -3.184094654954693e+02 1.330000000000000e-11 -7.901235221652314e-12 PASS
Multipoles [step 0] -1.206900680069706e-03 -1.211520628226222e-03 8.480000000000000e-06 4.619948156516169e-06 PASS
Multipoles [step 20] -2.020306518763738e+00 -2.020306920872538e+00 6.190000000000000e-07 4.021087995909056e-07 PASS
Compare to other inputs