Match Born charge O XX w=0.1
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run spack_foss-2022a_serial >
Input 06-h2o_pol_lr.03_emresp.inp
Value | Reference | Precision | Status |
-5.311500000000000e-01 | -5.311500000000000e-01 | 2.660000000000000e-04 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 5, 1)