Match comparison for SCF convergence (match type 29762)

Commits > Commit a02211b136400868a3f91e422c586cb9ab194975 > Input 07-sic.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.000000000000000e-01 2.500000000000000e+00 1.000000000000000e+00 0.000000000000000e+00 1.000000000000000e+00 0.000000000000000e+00 PASS

Checks for this match

  • Precision seems too large.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: 0.5, precision: 2.5
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 1.000000000000000e+00 5.000000000000000e-01 2.000000000000000e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 1.000000000000000e+00 5.000000000000000e-01 2.000000000000000e-01 PASS