Match Born charge diff w=0.0
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_omp_autotools: [intel2023a-serial] >
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)