[Pw_forum] How to consider finite system 's deformation with PW method?

[lan haiping]

Dear All,

    I wanna calculate  single nanotube's  radial deformation with QE .
But most works i knew are performed on nanotube bundle .
so i wanto know whether it is possible to study single nanotube's
deformation with QE code .

Regards,

Hai-Ping
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20061002/86f3d347/attachment.htm