Match Bader value 1
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run spack_foss-2022a_serial >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-3.601189489255020e-02 | -3.601189489308860e-02 | 6.140000000000000e-13 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 5, 2)