Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2023a_serial_min

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.000000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 20] -1.060634826182156e+01 -1.060634826182150e+01 5.000000000000000e-13 -5.684341886080801e-14 PASS
Multipoles [step 0] 1.913757116645508e-15 0.000000000000000e+00 5.000000000000000e-15 1.913757116645508e-15 PASS
Multipoles [step 20] -1.265537671052350e-01 -1.265537671052304e-01 5.000000000000000e-14 -4.635181127810029e-15 PASS
Compare to other inputs