[Pw_forum] Charge density Grid

[Paolo Giannozzi]

You need to specify three axis e0, e1, e2 and an origin x0,
if I remember correctly

P.

On Mon, 2014-08-04 at 19:54 -0400, Kayahan Saritas wrote:
> Dear PWSCF users,
> 
> 
> Do you know how to set grid density in pp.x input file? I guess I have
> to set output format as 3, so that I can play with grid density
> otherwise it is automatically taken from FFT grid. However at the end,
> still my output charge density grid is 216x216x216. Below you can find
> my input file. 
> 
> 
> &INPUTPP
> outdir='./'
> prefix='in'
> plot_num=0
> spin_component=0
> filplot='density.dens'
> /
> 
> 
> &PLOT
> nfile=1
> output_format=3
> fileout=‘density.cube'
> iflag=3
> 
> 
> nx=144
> ny=144
> nz=144
> /
> 
> 
> Thanks,
> 
> 
> Saritas Kayahan
> PhD Student
> Grossman Group
> Office: 13-4069
> Email: kayahan at mit.edu
> 
> 
> 
> 
> 
> 
> 
> 
> 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222