Can someone direct me on how to model a mesoporous material using VASP. I have the initial structure that I generated with a lammps code which has two surfaces on top and bottom of the slab(basically i introduced a vacuum gap on either side). I need to convert this into a POSCAR and relax but I am having issues on understanding how to define the vacuum gap there. Any help is appreciated




You must log in to answer this question.

Browse other questions tagged .