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

chengyu yang chengyu.young at gmail.com
Fri Jul 29 21:16:18 CEST 2011


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
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