CCL: electron transport
- From: Morad El-Hendawy <m80elhendawy:_:yahoo.com>
- Subject: CCL: electron transport
- Date: Wed, 23 Mar 2011 01:38:46 -0700 (PDT)
As far as I know, there are two free programs:
1-Siesta is distributed freely for academics. It uses the combined DFT-NEGF to
calculate the current, transmission, etc.
http://www.icmab.es/siesta/Academic-License-Individuals
2-Huckel IV 3.0 can be used as well, but it uses thecombined Extended
Huckel-NEGF to calculate the current, transmission, etc.
http://nanohub.org/resources/2951
Regards,
Morad
________________________________
> From: neeraj misra neerajmisra^^hotmail.com
<owner-chemistry..ccl.net>
To: "El-Hendawy, Morad Metwally " <m80elhendawy..yahoo.com>
Sent: Wed, March 23, 2011 5:44:36 AM
Subject: CCL: electron transport
Sent to CCL by: "neeraj misra" [neerajmisra(-)hotmail.com]
Dear All,
How to study the electron transport in a doped fullerene,, any free software ? I
mean the bias dependent electron transmission and current.
Thanks in advance
NMhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt--0-312200457-1300869526=:40055
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york,times,serif;font-size:12pt"><div><span
class="sc">As far as I know, there are two free
programs:<br><br>1-Siesta</span> is distributed freely for
academics. It uses the combined DFT-NEGF to calculate the current, transmission,
etc.<br><span><a target="_blank" href="http://www.icmab.es/siesta/Academic-License-Individuals";>http://www.icmab.es/siesta/Academic-License-Individuals</a></span><br><br>2-Huckel
IV 3.0 can be used as well, but it uses thecombined Extended Huckel-NEGF to
calculate the current, transmission, etc.<br><span><a
target="_blank" href="http://nanohub.org/resources/2951";>http://nanohub.org/resources/2951</a></span><br><br>Regards,<br>Morad<br></div><div
style="font-family: times new roman,new york,times,serif; font-size:
12pt;"><div style="font-family: arial,helvetica,sans-serif;
font-size: 13px;"><font
face="Tahoma" size="2"><hr
size="1"><b><span style="font-weight:
bold;">From:</span></b> neeraj misra
neerajmisra^^hotmail.com
<owner-chemistry..ccl.net><br><b><span
style="font-weight: bold;">To:</span></b>
"El-Hendawy, Morad Metwally "
<m80elhendawy..yahoo.com><br><b><span
style="font-weight: bold;">Sent:</span></b> Wed, March
23, 2011 5:44:36 AM<br><b><span style="font-weight:
bold;">Subject:</span></b> CCL: electron
transport<br></font><br>
<br>Sent to CCL by: "neeraj misra"
[neerajmisra(-)<a target="_blank" href="http://hotmail.com";>hotmail.com</a>]<br><br>Dear
All,<br>How to study the electron transport in a doped fullerene,, any
free software ? I mean the bias dependent electron transmission and
current.<br><br>Thanks in
advance<br>NM<br><br><br><br<br<br<br<br><br>E-mail
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