From owner-chemistry@ccl.net Wed Mar 23 10:21:00 2011 From: "Morad El-Hendawy m80elhendawy]*[yahoo.com" To: CCL Subject: CCL: electron transport Message-Id: <-44181-110323043855-29526-1eylyLt+3Bdx8NrluE8rkw{=}server.ccl.net> X-Original-From: Morad El-Hendawy Content-Type: multipart/alternative; boundary="0-312200457-1300869526=:40055" Date: Wed, 23 Mar 2011 01:38:46 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Morad El-Hendawy [m80elhendawy(!)yahoo.com] --0-312200457-1300869526=:40055 Content-Type: text/plain; charset=us-ascii 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 To: "El-Hendawy, Morad Metwally " 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 Content-Type: text/html; charset=us-ascii
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
NM



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