[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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