Match Bader value 2
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run intel-2022b_impi >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
-5.938005341547330e-02 | -5.938005341481400e-02 | 7.620000000000000e-13 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)