Match comparison for Exchange energy (orbitals) (match type 30563)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-2.181951000000000e+00 | 1.090000000000000e-05 | -2.181955000000000e+00 | 0.000000000000000e+00 | -2.181955000000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -2.181951, precision: 0.0000109Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.181955000000000e+00 | -3.999999999670933e-06 | -3.669724770340306e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.181955000000000e+00 | -3.999999999670933e-06 | -3.669724770340306e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.181955000000000e+00 | -3.999999999670933e-06 | -3.669724770340306e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.181955000000000e+00 | -3.999999999670933e-06 | -3.669724770340306e-01 | PASS |