Match Born charge O XX w=0.1
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
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)