Match Born charge O ZZ w=0.1
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-serial-min: [foss2022a-serial] >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-1.242973000000000e+00 | -6.771520000000000e-01 | 3.390000000000000e-05 | FAIL |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 7, 3)