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

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772426e+02 -3.184210032772400e+02 1.590000000000000e-10 -2.557953848736361e-12 PASS
Energy [step 20] -3.184088237669056e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.435563358943909e-11 PASS
Multipoles [step 0] -1.207167437819498e-03 -1.211520628226222e-03 5.140000000000000e-06 4.353190406723934e-06 PASS
Multipoles [step 20] -2.020313312380227e+00 -2.020315146839614e+00 5.140000000000000e-06 1.834459387506371e-06 PASS
Compare to other inputs