Input 35-slater_x.01-gs.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.497224947000000e+01 -1.497224947000000e+01 7.490000000000000e-13 -1.776356839400250e-15 PASS
Exchange energy -2.515659120000000e+00 -2.515659120000000e+00 1.260000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue [1 up] -8.865000000000000e-01 -8.864980000000000e-01 4.430000000000000e-05 -1.999999999946489e-06 PASS
Eigenvalue [1 dn] -1.053298000000000e+00 -1.053298000000000e+00 5.270000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue [4 up] -4.583200000000000e-01 -4.583160000000000e-01 2.290000000000000e-05 -4.000000000004000e-06 PASS
Eigenvalue [4 dn] -6.145440000000000e-01 -6.145420000000000e-01 3.070000000000000e-05 -1.999999999946489e-06 PASS
Compare to other inputs