Match Born charge diff w=0.1
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.427813000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | FAIL |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 10)