[Wien] XCrySDen
delamora
delamora at unam.mx
Tue Nov 26 04:46:42 CET 2024
Professor Blaha,
Thank you for your comments,
Here I try to be more precise;
You;
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"
In my computer;
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 tries to open "Al.xcr", therefore there is an error.
***
You;
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" there is no XCrySDen line
***
As you can see there is something missing in the XCrySDen <=> WIEN2k connection.
Saludos
Pablo
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