On 08/26/2012 09:48 AM, Cao TF wrote: > Dear QE users > It is seems that we can only get the STM image of rectangular cell with > the calculation of pp.x. So is it possible to get the STM image of > hexagonal cell ? Thank you in advance.
You can get the result for any cell shape, written in an internal yet easily readable format in the "filplot" file (specified in the &inputpp namelist), for all points in the real-space grid. Then, just choose a parallelepiped (or rectangle) which embraces the region you want, or use iflag=3 with output_format=5. Guido -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy