Input 12-forces.02-N2_gs.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.750000000000000e-14 0.000000000000000e+00 PASS
Total energy -1.999888519000000e+01 -1.999888519000000e+01 1.000000000000000e-08 0.000000000000000e+00 PASS
Force 3.762056790000000e-02 3.762056770000000e-02 1.880000000000000e-09 1.999999957313925e-10 PASS
Force Ion-ion -5.809717310000000e+00 -5.809717310000000e+00 2.900000000000000e-07 0.000000000000000e+00 PASS
Force Local 4.691630580000000e+00 4.691630580000000e+00 2.350000000000000e-07 0.000000000000000e+00 PASS
Force NL 1.155707270000000e+00 1.155707270000000e+00 5.780000000000000e-08 0.000000000000000e+00 PASS
Force SCF 3.267404090000000e-08 3.267404740000000e-08 1.000000000000000e-14 -6.499999997108930e-15 PASS
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