Match Born charge diff w=0.1
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_omp_autotools: [intel2023a-serial] >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
Value | Reference | Precision | Status |
-5.075000000000000e-02 | -5.075000000000000e-02 | 2.540000000000000e-04 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)