[Pw_forum] draw a ELF diagram using XCrysDen (Mahdi Faqieh nasiri)

[Stefano Baroni]

If anything else fails, you may want to refer to the xcrysden mailing list. SB

On Jul 12, 2011, at 8:24 AM, psavita at crlindia.com wrote:

> Hello Mahdi,
> 
> I think your input file for pp is fine, only you need to specify fileout='...,xsf' or copy this file to one with .xsf.
> To run Xcrysden you might as well use a command 'xcrysden --xsf .....xsf'. Once you get the structure,
> click the 'Tools' option on screen and then select 'Data Grid'. On success, you will get a menu to select
> isosurface/plane parameters.
> 
> Hope things work now for you.
> 
> Good luck and regards,
>  
> Savita Pundlik
> Computational Materials Applied Research Group
> Computational Research Laboratories Ltd.,
> Taco House, Damle Path, Off Law College Road
> Pune - 411004, India.
> 
> 
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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