Input 21-qedft-breit-3d.02-pxlda-helium.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.300000000000000e-07 0.000000000000000e+00 PASS
Total Energy -2.842074580000000e+00 -2.842074580000000e+00 3.000000000000000e-14 4.440892098500626e-16 PASS
Eigenvalues energy -1.395292220000000e+00 -1.395292220000000e+00 7.000000000000000e-08 0.000000000000000e+00 PASS
Photon exchange -8.890665000000000e-02 -8.890665000000000e-02 4.500000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs