Match Born charge diff w=0.1
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_foss-2022a_cuda_mpi_omp >
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)