Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772405e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.809397407574579e-11 PASS
Energy [step 20] -3.184088237669056e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.435563358943909e-11 PASS
Multipoles [step 0] -1.207060952964842e-03 -1.211520628226222e-03 5.140000000000000e-06 4.459675261380075e-06 PASS
Multipoles [step 20] -2.020313265804091e+00 -2.020315146839614e+00 5.140000000000000e-06 1.881035523787489e-06 PASS
Compare to other inputs