Match Bader value 1
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_intel-2023a_impi >
Input 08-symmetrization_mgga.01-spg3_sym.inp
| Value | Reference | Precision | Status |
| -3.601190751430870e-02 | -3.601189489308860e-02 | 6.140000000000000e-13 | FAIL |
Command: LINEFIELD(static/bader.y=0\,z=0, 5, 2)