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

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772457e+02 -3.184210032772400e+02 1.590000000000000e-10 -5.741185304941610e-12 PASS
Energy [step 20] -3.184088237668971e+02 -3.184088237668212e+02 1.590000000000000e-10 -7.582912076031789e-11 PASS
Multipoles [step 0] -1.207657738006546e-03 -1.211520628226222e-03 5.140000000000000e-06 3.862890219676280e-06 PASS
Multipoles [step 20] -2.020313523304745e+00 -2.020315146839614e+00 5.140000000000000e-06 1.623534869210630e-06 PASS
Compare to other inputs