Input 12-forces.03-N2_gs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Total energy -1.949778694000000e+01 -1.949778694000000e+01 9.750000000000001e-08 0.000000000000000e+00 PASS
Force -2.632213340000000e+00 -2.632213340000000e+00 1.320000000000000e-14 0.000000000000000e+00 PASS
Force Ion-ion -1.111111110000000e+01 -1.111111110000000e+01 5.559999999999999e-07 0.000000000000000e+00 PASS
Force Local 5.501625520000000e+00 5.501625519999999e+00 2.750000000000000e-07 8.881784197001252e-16 PASS
Force NL 2.977272270000000e+00 2.977272270000000e+00 1.490000000000000e-07 0.000000000000000e+00 PASS
Force SCF -2.018372070000000e-08 -2.018371600000000e-08 5.000000000000000e-14 -4.699999999843864e-15 PASS
Compare to other inputs