Match Born charge diff w=0.1
Commits >
Commit 4b7a334ce1857269604388697d6e11d007df5aba >
Run eb_foss-2022b_libxc6_mpi >
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)