Match Born charge diff w=0.0
Commits >
Commit 65c9d1acfcf72851dda73eaed77edd797333194c >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
1.185000000000000e-02 | 1.185000000000000e-02 | 5.920000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)