Match Born charge diff w=0.1
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_foss-2022a_cuda_serial >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
-2.954799000000000e+00 | -2.954800000000000e+00 | 1.480000000000000e-05 | PASS |
Command: GREPFIELD(em_resp/freq_0.1000/born_charges, "Discrepancy", 3, 5)