Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.000000000000000e-13 -3.019806626980426e-14 PASS
Energy [step 20] -1.060634826182157e+01 -1.060634826182150e+01 5.000000000000000e-13 -6.750155989720952e-14 PASS
Multipoles [step 0] -1.031924545813467e-15 0.000000000000000e+00 5.000000000000000e-15 -1.031924545813467e-15 PASS
Multipoles [step 20] -1.265537671052354e-01 -1.265537671052304e-01 5.000000000000000e-14 -5.023759186428833e-15 PASS
Compare to other inputs