[Pw_forum] problem with charge density with xcrysden

dev sharma decboy9 at gmail.com
Fri Sep 11 10:06:45 CEST 2009


hi 2 all,
 I am trying to plot the charge density with the XCrysden, but when i am
opening's XSF(file--> open structure--> open XSF(xcryden structure file))
file , generated by my calculations, it is showing the structure of my
system. And i am not getting the   option tools--> DATA GRID as ready.
Please help or advice ?? Thankful to all of you. What i did is listed below.
I run my input file with command
/home/physics/espresso-4.0.2/bin/pp.x  <density.inp> density.xsf
and inputs of density.in are
 &inputpp
  prefix  = 'yvo'
 outdir  = '/home/physics/work/yvo/temp/',
filplot = 'yvocharge'
  plot_num= 0
 /
 &plot
  nfile = 1
 filepp(1) = 'yvocharge'
  weight(1) = 1.0
   iflag = 3
  output_format = 5,
 /

with regards,
Dev Sharma,
University of Delhi,
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