Match Born charge diff w=0.1
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Run intel-2022a_omp_impi >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-1.154200000000000e-02 | -1.154200000000000e-02 | 5.770000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)