[Pw_forum] Slow calculation of (5, 5) CNT transmission and complex bands.

[chengyu yang]

Can anybody have a look at what's going on?
Thanks.

Chengyu
MMAE,University of Central Florida


2011/7/29 chengyu yang <chengyu.young at gmail.com>

> Dear All,
>          After two hours , my transmission calculation comes out a result.
> But I thought it may be not converged and didn't get the final result.
> May anybody have a look at my output file? I attached in this email.
>        My input file is like this:
>        &inputcond
>     prefixl='55'
>     tran_file='trans.cnt55',
>
>     ikind=0
>     energy0=4.d0
>     denergy=-0.1d0
>     ewind=3.d0
>     epsproj=1.d-4
>     delgep = 1.d-9
>     cutplot = 3.d0
>  /
>     1
>     0.0 0.0 1.0
>     5
>
>
> Is there somebody that can give me an advice?
> I really appreciate it.
>
>
> Chengyu Yang
> Materials Science and Engineering,
> University of Central Florida, USA
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110729/c71a2370/attachment.html>