Match Born charge 5 XX w=0.0
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
6.777100000000000e-02 | -5.479100000000001e-02 | 2.740000000000000e-05 | FAIL |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Index: 5", 1, 2)