Match Born charge diff w=0.0
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run intel-2022a_omp_impi >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
8.805000000000000e-03 | 8.803999999999999e-03 | 4.400000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)