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

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128299e+02 -3.184216450128310e+02 1.570000000000000e-11 1.080024958355352e-12 PASS
Energy [step 20] -3.184094654954706e+02 -3.184094654954693e+02 5.150000000000000e-11 -1.307398633798584e-12 PASS
Multipoles [step 0] -1.207565523648063e-03 -1.211520628226222e-03 8.480000000000000e-06 3.955104578158780e-06 PASS
Multipoles [step 20] -2.020306806259041e+00 -2.020306920872538e+00 1.600000000000000e-06 1.146134973595281e-07 PASS
Compare to other inputs