[xcrysden] error in constructing new input file

[Tone Kokalj]

On Wed, 2013-10-30 at 08:28 +0330, Reza Behjatmanesh-Ardakani wrote:
> Hi dear users
> I am not very professional in xcrysden. I have compiled it on Debian7.
> The program works and I can open input and output of PWscf files,
> however, I can not construct a crystal by hand. In other words, in
> file menu, the item "New CRYSTAL-95/98/03/06 input" is not active. It
> is gray. 

First, for this menu to be active, you will need a crystal program,
http://www.crystal.unito.it/

Then you will need to tell to xcrysden, where you have it installed,
see:
http://www.xcrysden.org/doc/custom.html
in particular:
http://www.xcrysden.org/doc/custom.html#__toc__1


> How can prepare an input by hand.

If you want to prepare input files for PWscf, then you may consider
pwgui instead: http://www-k3.ijs.si/kokalj/pwgui/

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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