Match comparison for y (H1) (t=400 au) (match type 26056)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
7.454878900000000e-01 | 1.000000000000000e-04 | 7.454913619307252e-01 | 0.000000000000000e+00 | 7.454913619307252e-01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 0.74548789, precision: 0.0001Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 7.454913619307252e-01 | 3.471930725140737e-06 | 3.471930725140737e-02 | PASS |