Input 06-rdmft.03-gs_grid.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.176087152000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172190000000462e-04 PASS
RDMFT highest occupation number 1.946763509244000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320770999988177e-05 PASS
Compare to other inputs