Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run foss-mpi-debug: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128285e+02 -3.184216450128310e+02 1.570000000000000e-11 2.501110429875553e-12 PASS
Energy [step 20] -3.184094654954756e+02 -3.184094654954693e+02 5.150000000000000e-11 -6.309619493549690e-12 PASS
Multipoles [step 0] -1.207038029086949e-03 -1.211520628226222e-03 9.480000000000001e-06 4.482599139273230e-06 PASS
Multipoles [step 20] -2.020306578623545e+00 -2.020306920872538e+00 1.600000000000000e-06 3.422489931459438e-07 PASS
Compare to other inputs