Match Bader value 2
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-5.938005341549750e-02 | -5.938005341481400e-02 | 7.620000000000000e-13 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)