Match Born charge O XX w=0.1
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_debug_autotools: [foss2023a-serial] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.968670000000000e-01 | -1.968670000000000e-01 | 9.840000000000001e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 3, 1)