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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run foss-2022a_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772392e+02 -3.184210032772400e+02 1.590000000000000e-10 8.526512829121202e-13 PASS
Energy [step 20] -3.184088237669023e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.105871529551223e-11 PASS
Multipoles [step 0] -1.207279040895154e-03 -1.211520628226222e-03 5.140000000000000e-06 4.241587331067992e-06 PASS
Multipoles [step 20] -2.020313362744527e+00 -2.020315146839614e+00 5.140000000000000e-06 1.784095087664639e-06 PASS
Compare to other inputs