Match Bader value 1
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_foss-2023a_serial >
Input 08-symmetrization_mgga.01-spg3_sym.inp
| Value | Reference | Precision | Status |
| -3.601189489254490e-02 | -3.601189489308860e-02 | 6.140000000000000e-13 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 5, 2)