Match Born charge diff w=0.1
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.352376000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | FAIL |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 10)