Match Born charge O XX w=0.0
Commits >
Commit 705c4760eef009c58a165e8716adc8057257a566 >
Run cuda-serial: [foss2022a-cuda-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)