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

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772407e+02 -3.184210032772400e+02 1.590000000000000e-10 -7.389644451905042e-13 PASS
Energy [step 20] -3.184088237669048e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.355982572538778e-11 PASS
Multipoles [step 0] -1.207222441025238e-03 -1.211520628226222e-03 5.140000000000000e-06 4.298187200983900e-06 PASS
Multipoles [step 20] -2.020313336661320e+00 -2.020315146839614e+00 5.140000000000000e-06 1.810178293926157e-06 PASS
Compare to other inputs