Match Born charge diff w=0.1
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel-omp: [intel2023a-serial] >
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)