Match Born charge O XX w=0.0
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp
Value | Reference | Precision | Status |
-1.489220000000000e-01 | -1.489220000000000e-01 | 7.450000000000000e-06 | PASS |
Command: LINEFIELD(em_resp/freq_0.0000/born_charges, 3, 1)