Match Partial charge 2
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2023a_mpi_omp >
Input 08-symmetrization_mgga.01-spg3_sym.inp
Value | Reference | Precision | Status |
4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)