Match Born charge diff w=0.1
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_mpi_opt >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.395780000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 10)