[xcrysden] Question regarding Crystal17

Matic matic.poberznik at gmail.com
Tue May 14 15:52:17 CEST 2019


Dear Bojana,
>
> since Xcrysden offers options to open CRYSTAL-95/98/03/06 input or 
> properties files, I am wondering why isn't that working for CRYSTAL17?
>
without more info regarding the error it is difficult to say and I have 
very little experience working with the CRYSTAL package, however note 
that for xcrysden to work with CRYSTAL you need to add a few lines to 
the ~/.xcrysden/custom-definitions file, for how to do this please 
follow the link below:

http://www.xcrysden.org/doc/custom.html

Best regards,

Matic

-- 

Matic Poberznik
J. Stefan Institute, Jamova 39, Ljubljana, Slovenia



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