Match Born charge diff w=0.0
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel-omp: [intel2022a-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)