Match comparison for Exchange energy (match type 30558)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.181951600000000e+00 | 7.410000000000000e-06 | -2.181955140000000e+00 | 0.000000000000000e+00 | -2.181955140000000e+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: -2.1819516, precision: 0.00000741| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.181955140000000e+00 | -3.539999999802035e-06 | -4.777327934955513e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.181955140000000e+00 | -3.539999999802035e-06 | -4.777327934955513e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.181955140000000e+00 | -3.539999999802035e-06 | -4.777327934955513e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.181955140000000e+00 | -3.539999999802035e-06 | -4.777327934955513e-01 | PASS |