Match Bader value 2
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2023b_serial >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-5.938005341549660e-02 | -5.938005341481400e-02 | 7.620000000000000e-13 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)