The ABINIT Users Mailing List ( CLOSED )

[mmikami@rc.m-kagaku.co.jp]

Dear Paola,

Could you please post your question as a new thread, not as a follow-up ?
(Kindly read our 
netiquette(http://www.abinit.org/community/?text=netiquette). I am posting 
this via WEB, so I could not this time...)

Well, you might want to try our Tutorials/Tests, before your own works. (You 
will know that "angdeg 0 0 90" means nothing, just causing such an error.) 
And also, you might want to know the idea of "supercell" as well as "periodic 
boundary condition"... There are good textbooks such as "Electronic 
Structure"(Richard M. Martin). You might want to consult with them at hand, 
when you run the Tutorials.

In passing, the following site might be interesting to some of the 
subscribers.
"Tubegen"(web-interface, 
http://turin.nss.udel.edu/research/tubegenonline.html), J. T. Frey and D. J. 
Doren, University of Delaware, Newark DE, 2005.
  http://turin.nss.udel.edu/research/tubegenonline.html
If you can choose "CIF" format, for example, you will get lattice constants 
and internal coordinates for your CNT (in your supercell). Have fun.

Good luck,
Masayoshi