Match Bader value 1
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 09-symmetrization_gga.01-spg143_nosym.inp
Value | Reference | Precision | Status |
9.938291578683509e-03 | 9.938291578682999e-03 | 4.970000000000000e-14 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)