Match Born charge diff w=0.0
Commits >
Commit c335ce26b11dabfe3619506d15cfc1285f92daaf >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-3.653700000000000e-02 | -3.653600000000001e-02 | 1.830000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Discrepancy", 3, 5)