Match Born charge diff w=0.0
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
| Value | Reference | Precision | Status |
| 1.129400000000000e-02 | 1.129400000000000e-02 | 5.650000000000000e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 4)