[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.
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
--
-----------------------------------------------------------------------
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
-------------------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20230524/b0c93bb7/attachment.htm>
More information about the Wien
mailing list