Match Bader value 1
Commits >
Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 >
Run spack_foss-2022a_cuda_serial >
Input 07-symmetrization_lda.01-spg2_sym.inp
Value | Reference | Precision | Status |
-4.649248432730690e-03 | -4.649248424946436e-03 | 8.579999999999999e-12 | PASS |
Command: LINEFIELD(static/bader.y=0\,z=0, 2, 2)