[Pw_forum] STM simulation

[Guido Fratesi]

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