CCL:G: DOS and Electronic band structure calculation using Gaussian 03/09



Dear Abhishek

It is useful to have a look at GaussSum and AOMix software. I hope it helps.


Best Wishes

 Masoud



--------------
Masoud Nahali, Sharif University of Technology
masoud.nahali,gmail.com; alum.sharif.edu/~m_nahali

P Please don't print this e-mail unless you really need to.




On Mon, Jun 20, 2011 at 3:35 AM, Abhisek Mishra mishralu#,#gmail.com <owner-chemistry,ccl.net> wrote:

Sent to CCL by: "Abhisek  Mishra" [mishralu ~ gmail.com]
Dear all,

How can I plot  electronic DOS(density-of-states) and Electronic band structure
of some finite systems in G03/G09, what keywords I need to give for this?? and
if I have to calculate these for polymeric systems what options I need to  add
for this.  Any sample file for these calculations will be very useful for me to
start.

Thanks a lot in advance and best regards,

Abhishek
--------------
Dr. Abhishek K Mishra
DST Fast Track Fellow,
Theoretical Sciences Unit, JNCASR, Bangalore



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