Match Born charge O XX w=0.1
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run foss-omp-full: [foss2023a-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)