Match Born charge diff w=0.0
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run spack_foss-2023a_mpi_opt >
Input 06-h2o_pol_lr.03_emresp.inp
| Value | Reference | Precision | Status |
| 2.902100000000000e-02 | 2.902100000000001e-02 | 1.450000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)