[Pw_forum] Xcrysden charge plot - reg.,

Muthu V muthu.physicsmath at gmail.com
Fri Jan 31 07:58:49 CET 2014


Dear QE'ians

i drawn charge density plot using .xsf (for charge density)  file. i have
two questions  regarding plotting with xcrysden

1.   xcrysden do well. but i want to display atom only at the interested
point in crystal not all atoms in whole crystal. i do not have crystal.xx
package and i
      want to delete unwanted atom. can i do this in xcrysden (without
crystal package) ? ( since with out this package of the options in xcrysden
are inactive
      for e.g *"AdvGeom,Properties"*

2.   at starting window if i load .xsf (charge density file)file , xcrysden
shows opening with which gives details of the file along with multiplying
factor. if
      change this value nothing happens except changes in lower and higher
rendering value of charge. what is the use of multiplying factor?

3.   i want to plot for specific bands in that in band structure. QE gives
me options for this. but by changing the  lowest and highest rendered value
i can get
      different plot. what they mean?  is this correspond to charge plot
for different bands?

dear qe users your help will be appreciated

thank you



*_________________________*
*Muthu.V*
*Project Fellow*
*School of Physics*
*Madurai Kamaraj University*
*Mandurai, Tamil Nadu*
*India*

*__________________________*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140131/9d7c1a36/attachment.html>


More information about the users mailing list