Match Born charge O XX w=0.1
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.927040000000000e-01 | -1.927040000000000e-01 | 9.640000000000000e-08 | PASS |
Command: LINEFIELD(em_resp/freq_0.1000/born_charges, 3, 1)