Input 06-rdmft.02-gs_basis.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run spack_intel-2023a_serial_omp

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 -1.150819624600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372328999999951e-04 PASS
RDMFT highest occupation number 1.935739519108000e+00 1.935709828519000e+00 1.000000000000000e-03 2.969058900004207e-05 PASS
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