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
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
