Match Born charge diff w=0.0
Commits >
Commit 6816b153d33f61198d1ef96fd0f4ab733dba1073 >
Run foss-2022a_omp >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-5.785600000000000e-02 | -5.785700000000000e-02 | 2.890000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 4)