Match Born charge 1 ZZ w=0.0
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-1.828300000000000e-02 | -1.828300000000000e-02 | 9.140000000000001e-06 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Index: 1", 3, 4)