Match Born charge diff w=0.0
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run intel_mpi_omp_autotools: [intel2022a-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)