Input 21-scissor.01-gs.inp

Commits > Commit 6d797cea4015e569c9484b6f40396252a005b517 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -4.174917300000000e-01 -4.174745000000000e-01 1.000000000000000e-04 -1.722999999997921e-05 PASS
Compare to other inputs