Match comparison for z (H6) (t=400 au) (match type 26067)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.843777430000000e+00 | 1.000000000000000e-04 | 1.843783870384439e+00 | 0.000000000000000e+00 | 1.843783870384439e+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: 1.84377743, precision: 0.0001Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.843783870384439e+00 | 6.440384439088120e-06 | 6.440384439088120e-02 | PASS |