Match Born charge diff w=0.0
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run foss-mpi-debug: [foss2023a-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)