Match Born charge 1 ZZ w=0.1
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_foss-2022a_cuda_serial >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.812991000000000e+00 | -2.812991000000000e+00 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Index: 1", 3, 4)