Match Born charge diff w=0.1
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.395781000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 10)