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

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772403e+02 -3.184210032772400e+02 1.590000000000000e-10 -2.842170943040401e-13 PASS
Energy [step 20] -3.184088237669061e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.486722435918637e-11 PASS
Multipoles [step 0] -1.207152391033584e-03 -1.211520628226222e-03 5.140000000000000e-06 4.368237192638397e-06 PASS
Multipoles [step 20] -2.020313305971748e+00 -2.020315146839614e+00 5.140000000000000e-06 1.840867866143014e-06 PASS
Compare to other inputs