Match Born charge 1 ZZ w=0.0
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] >
Input 04-silicon.03-emresp.inp
Value | Reference | Precision | Status |
1.163140000000000e-01 | -1.828300000000000e-02 | 9.140000000000001e-06 | FAIL |
Command: GREPFIELD(em_resp/freq_0.0000/born_charges, "Index: 1", 3, 4)