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

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772410e+02 -3.184210032772400e+02 1.590000000000000e-10 -9.663381206337363e-13 PASS
Energy [step 20] -3.184088237669058e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.452616384602152e-11 PASS
Multipoles [step 0] -1.207062495082414e-03 -1.211520628226222e-03 5.140000000000000e-06 4.458133143807547e-06 PASS
Multipoles [step 20] -2.020313266458678e+00 -2.020315146839614e+00 5.140000000000000e-06 1.880380936292170e-06 PASS
Compare to other inputs