Match Born charge diff w=0.0
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run spack_foss-2022a_serial_min >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
9.382000000000000e-03 | 9.382000000000000e-03 | 4.690000000000000e-14 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)