Dear QE users and developers, I'm currently trying to simulate a charged 2D slab embedded in water. I'm using two planar countercharges as explained in Example 5 of Environ. The computation does not have any convergence problem, however, when I plot the total electrostatic potential (plot_num=11 in pp.x) I do not get a flat potential in the vacuum region screened by the countercharges. I would expect to find a flat potential in that region and be able to use it as a reference for further calculations. Here is my environ input
&ENVIRON > verbose = 0 > environ_thr = 1.d0 > environ_type = 'input' > env_electrostatic = .true. > env_static_permittivity = 80 > env_surface_tension = 0.D0 > env_pressure = 0.D0 > env_external_charges = 2 > / > &BOUNDARY > solvent_mode = 'full' > / > &ELECTROSTATIC > pbc_correction = 'parabolic' > pbc_dim = 2 > pbc_axis = 3 > tol = 5.D-13 > !inner_tol = 5.D-18 > / > EXTERNAL_CHARGES (bohr) > 2. 0.0 0.0 -14.29 1.0 2 3 > 2. 0.0 0.0 14.29 1.0 2 3 Thank you very much for your help. Best, Antonio Crepaldi-Lanza -- Department of Physics "Aldo Moro" University of Bari
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