[Wien] Xcrysden works for structure view, not for electron density display

[Gavin Abo]

After you click the "Calculate density with XCrysden" button, 1) the 
"Requires X-Windows system ... Calc" message appears immediately or 2) 
does the XCrySDen program open, the "Choose 2D/3D Density Plot" window 
appears (like that shown at 
http://www.xcrysden.org/doc/wien.html#__toc__6 ), then the "Requires 
X-Windows system ... Calc" message only shows up after you close XCrySDen.

If 2 above occurs, then that is normal and nothing is wrong.

If 1 above occurs, then there is a problem.  However, I'm not able to 
reproduce the error with the information you have provided.  I'm using 
the latest WIEN2k (17.1) and XCrySDen 
(xcrysden-1.5.60-linux_x86_64-semishared [ 
http://www.xcrysden.org/Download.html ]) as well and the "Calculate 
density with XCrysden" run locally in w2web seems to work fine for me.  
Without any additional hints you might have, the problem may go 
unresolved like what happened to a user before [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15585.html 
].

If you try the same thing in the terminal, does it work or provide any 
additional information (like an error message).

For example, first navigate to the directory containing your case.struct 
file:

username at computername:~/Desktop$ cd ~/wiendata/test
username at computername:~/wiendata/test$ ls test.struct
test.struct

Back out of the directory so that you are in the directory containing 
your case folder and run the density calculation with XCrySDen [ 
http://www.xcrysden.org/doc/wien.html#__toc__1  ]:

username at computername:~/wiendata/test$ cd ..
username at computername:~/wiendata$ xcrysden --wien_density test

On 6/28/2018 8:17 AM, Luc Fruchter wrote:
> Dear all,
>
> Xcrysden works fine from the w2web interface (run locally), when 
> viewing a structure. So, I think it is correctly installed and 
> configured.
>
> However, it displays "requires X-Windows system ... Calc" when trying 
> to use the "Calculate density with Xcrysden" button, or "requires 
> X-Windows system ... Render" when I use the "Preview density button".
>
> When I use the "Rhoplot" button, the density is correctly displayed 
> (so the density file must be ok).
>
> ( I use latest versions for Wien2k and Xcrysden).
>
> Thanks for any help.