[Pw_forum] Charge density Grid

[Kayahan Saritas]

Thank you Paolo. I modified the input file as you requested, but still output doesn’t change. It still looks 216x216x216.

pp.x document says that I can use output_format = 3 to manipulate grid density, otherwise grid density is taken from FFT grid (or Fourier components are used), however it doesn’t seem to work even though I tried all possible 3D options for output_format.  

Input file:

&INPUTPP
outdir='./'
prefix='in'
plot_num=0
spin_component=0
filplot='tmp_dens'
/
&PLOT
nfile=1
output_format=3
fileout='density.xsf'
iflag=3
e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,
e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,
e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,
x0(1)=0.0, x0(2)=0.0, x0(3)=0.0,
nx=144, ny=144, nz=144
/

Thanks,

Saritas Kayahan
PhD Student
Grossman Group
Office: 13-4069
Cell: +1-617-955-3981
Office: +1-617-258-8741
Email: kayahan at mit.edu



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