[Wien] xcrysden installed but not able to integrate with wien2k interface

Gavin Abo gsabo at crimson.ua.edu
Sun Oct 28 06:09:34 CET 2018


Sure, you can manually add/edit XCRYSDEN_TOPDIR according to the 
XCrySDen website:

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

However, I installed XCrySDen on Fedora 28 starting with step 8 at

http://www.democritos.it/pipermail/xcrysden/2015-March/001697.html

and it installed just fine for me.  The ./xcConfigure.sh step was still 
able to automatically setup the XCrySDen environmental variables like 
XCRYSDEN_TOPDIR.

The w2web was running before I installed XCrySDen such that "view 
structure" was not working in w2web.  However, it started working fine 
after following previous advise in the mailing list to kill and restart 
w2web:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01987.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04236.html

To use w2web offline, the system's hostname can be set to [ 
https://en.wikipedia.org/wiki/Localhost ]: localhost

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01124.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15629.html

On 10/27/2018 12:43 PM, Ashwani Kumar wrote:
> Hi,
> i have installed xcrysden and know there some changes required in "TOP 
> DIRECTORY" to integrate it into wien2k user interface. I tried 
> changing it but remain unsuccessful. Browsed threads for the same 
> problem, found plenty in wien2k mailing list but still could not 
> understand how to do it.  I am using xcrysden offline. Please help 
> with this.
>
> thanks,
> Ashwani Kumar



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