[Wien] Xcrysden problem

delamora delamora at unam.mx
Mon Oct 20 23:47:18 CEST 2014


I solved this problem for RED HAT;
In a terminal I tried to run
    xcrysden
and there was a program missing, so I installed it, then another one, again I installed it.
With these two programs and their dependences XCrySDen worked.

Pablo
________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <pblaha at theochem.tuwien.ac.at>
Enviado: viernes, 10 de octubre de 2014 01:10 a.m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Xcrysden problem

After installation of xcrysden you must kill w2web
(ps -ef |grep w2web  and kill the corresponding processes).

Then make sure your environment is ok (eventually logout/login)
and restart w2web.

PS: before starting w2web, the environment variable XCRYSDEN_TOPDIR
must be set.


Am 10.10.2014 04:51, schrieb bayarr temuujin:
> Dear Wien2k users,
>
> I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I have problem with Xcrysden not showing up when i run electron density calculation. The
> button "Calculate density with XCrysden" doesnt show up. I have re-installed Xcrysden and XCrysden is working fine. Please help me out.
> Best regards,
> Temuujin
>
>
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--
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------
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