[Wien] not able to cal densities using xcrysden

Peter Blaha peter.blaha at tuwien.ac.at
Wed May 24 15:10:54 CEST 2023


You need to supply more info, we can only guess:

I guess you are working remotely, i.e. you connect somehow (ssh ?,...) 
to the server where wien2k is installed.

I very much doubt that you still can view the structure. It probably 
worked the first time after starting   w2web, but not after reconnecting 
your PC/laptop to the server.

Solution:

kill_w2web

w2web

now reconnect with your browser to w2web and xcrysden will work.


Am 24.05.2023 um 08:50 schrieb Neetu Malik:
> Hi team,
> When I am trying to calculate charge density using xcrysden getting this:
>
>
>       Electron Density with XCrysDen
>
> Requires X-Windows system ... Calc
> However, I am able to view structure using Xcrysden. It,s working fine.
> Please guide me how to Calculate  charge densities then.
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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