[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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