Is there a way to convert the potential in case.vns and case.vsp into a real space grid with Nx, Ny, Nz number of points along \vec{a}, \vec{b} and \vec{c} respectively? Thanks. Yundi -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160831/4b8f5701/attachment.html>