Match Born charge diff w=0.1
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-mpi-min: [foss2022a-mpi] >
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)