Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.000000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634826182157e+01 -1.060634826182150e+01 5.000000000000000e-13 -7.460698725481052e-14 PASS
Multipoles [step 0] -1.499409971184029e-15 0.000000000000000e+00 5.000000000000000e-15 -1.499409971184029e-15 PASS
Multipoles [step 20] -1.265537671052365e-01 -1.265537671052304e-01 5.000000000000000e-14 -6.133982211053990e-15 PASS
Compare to other inputs