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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772408e+02 -3.184210032772400e+02 1.590000000000000e-10 -7.958078640513122e-13 PASS
Energy [step 20] -3.184088237669067e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.543565854779445e-11 PASS
Multipoles [step 0] -1.207014621730104e-03 -1.211520628226222e-03 5.140000000000000e-06 4.506006496117704e-06 PASS
Multipoles [step 20] -2.020313245627529e+00 -2.020315146839614e+00 5.140000000000000e-06 1.901212085542170e-06 PASS
Compare to other inputs