[Pw_forum] Charge density Grid

Kayahan Saritas saritaskayahan at gmail.com
Tue Aug 5 01:54:23 CEST 2014


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






-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140804/5362d2d7/attachment.html>


More information about the users mailing list