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

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772410e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.854872142663226e-11 PASS
Energy [step 20] -3.184088237669062e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.492406777804717e-11 PASS
Multipoles [step 0] -1.207001600666904e-03 -1.211520628226222e-03 5.140000000000000e-06 4.519027559317596e-06 PASS
Multipoles [step 20] -2.020313240070690e+00 -2.020315146839614e+00 5.140000000000000e-06 1.906768924087032e-06 PASS
Compare to other inputs