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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772412e+02 -3.184210032772400e+02 1.590000000000000e-10 -1.193711796076968e-12 PASS
Energy [step 20] -3.184088237669087e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.748202162678353e-11 PASS
Multipoles [step 0] -1.207001807696770e-03 -1.211520628226222e-03 5.140000000000000e-06 4.518820529452123e-06 PASS
Multipoles [step 20] -2.020313240098464e+00 -2.020315146839614e+00 5.140000000000000e-06 1.906741150747848e-06 PASS
Compare to other inputs