Match Born charge diff w=0.1
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.954799000000000e+00 | -2.954800000000000e+00 | 1.480000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)