Match Bader value 1
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_autotools: [foss2022a-serial] >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-3.601191962057080e-02 | -3.601191962058630e-02 | 1.710000000000000e-14 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 5, 2)