Match comparison for z (H3) (t=400 au) (match type 26064)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.828435580000000e+00 | 1.000000000000000e-04 | -1.828441781078587e+00 | 0.000000000000000e+00 | -1.828441781078587e+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: -1.82843558, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -1.828441781078587e+00 | -6.201078587286801e-06 | -6.201078587286801e-02 | PASS |