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

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772443e+02 -3.184210032772400e+02 1.590000000000000e-10 -4.263256414560601e-12 PASS
Energy [step 20] -3.184088237669023e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.111555871437304e-11 PASS
Multipoles [step 0] -1.207416988450463e-03 -1.211520628226222e-03 5.140000000000000e-06 4.103639775758722e-06 PASS
Multipoles [step 20] -2.020313421656819e+00 -2.020315146839614e+00 5.140000000000000e-06 1.725182794842794e-06 PASS
Compare to other inputs