Match Born charge 1 ZZ w=0.1
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.812991000000000e+00 | -2.812991000000000e+00 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Index: 1", 3, 4)