Match Bader value 2
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-5.938003030684900e-02 | -5.938003030683320e-02 | 2.880000000000000e-14 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)