Input 35-slater_x.01-gs.inp

Commits > Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.497222920000000e+01 -1.497222920000000e+01 7.490000000000000e-07 1.776356839400250e-15 PASS
Exchange energy -2.515657850000000e+00 -2.515657850000000e+00 1.260000000000000e-07 -4.440892098500626e-16 PASS
Eigenvalue [1 up] -8.864890000000000e-01 -8.864980000000000e-01 4.430000000000000e-05 9.000000000036756e-06 PASS
Eigenvalue [1 dn] -1.053304000000000e+00 -1.053304000000000e+00 5.270000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue [4 up] -4.583110000000000e-01 -4.583160000000000e-01 2.290000000000000e-05 4.999999999977245e-06 PASS
Eigenvalue [4 dn] -6.145490000000000e-01 -6.145420000000000e-01 3.070000000000000e-05 -6.999999999979245e-06 PASS
Compare to other inputs