[Wien] XCrySDen

[delamora]

Professor Blaha,
Thank you for your comments,
Here I try to be more precise;

Of course you cannot "visualize" Al.broyd1  ????
*** When one opens XCrySDen in a terminal one touches
"File", "Open WIEN2k ...", "Open WIEN2k Struct File"
This opens the Al directory, then one points to any "Al.***" and it opens "Al.struct"
If I point to "Al.struct" it opens this file and I can see the "Al" structure, but if I point to any other file, it gives me an error, it tries to open "Al.xcr"
***

I also do not understand what you mean by "pointing with the mouse to
..." ??

In any case, you can only view   case.struct files (or *xcr files). And
xcrysden needs to "know" that it is a struct file, either on the command
line:

xcrysden --wien_struct case.struct     or
xcrysden
   open WIEN2k struct file .....

(see also xcrysden --help)

Do you see the "view structure" tab in  w2web ???
***No, I cannot see it
***Also in
"Tasks<http://localhost:7890/navig.pl?SID=276917&tasks=0>
 El. Dens.<http://localhost:7890/exec/rho.pl?SID=276917> ("Electron density plots")"
I do not see the XCrySDen line
***In "Bandstructure" "create Al.list_band" there is no XCrySDen
***

Saludos

Pablo

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