Match Bader value 1
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 09-symmetrization_gga.02-spg143_sym.inp
Value | Reference | Precision | Status |
9.942475804336290e-03 | 9.942475804336361e-03 | 4.160000000000000e-15 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 6, 2)