[Wien] crystal structure of imogolite

[abdel Mar..]

Dear Wien2k users,

 I would like to make calculations for imogolite nanotubes,

the crystal structure is given in cylindrical coordinates.

is there a way for calculations for such structures with WIEN2k ?

Regards

PS: crystallographic structure

http://www.nature.com/nature-physci/journal/v240/n104/pdf/physci240187a0.pdf 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130530/408ecbd7/attachment.htm>