CCL: Periodic System - semi empirical methods
- From: Victor Rosas Garcia <rosas.victor++gmail.com>
- Subject: CCL: Periodic System - semi empirical methods
- Date: Wed, 1 Dec 2010 12:08:11 -0600
Sent to CCL by: Victor Rosas Garcia [rosas.victor_-_gmail.com]
The manual is always online at:
http://www.openmopac.net/manual/index.html
look at the "Examples" section for how to build a data set for solid
state calculations.
Hope this helps
Victor
2010/12/1 Sanjay Bharathwaj computationalchemist()gmail.com
<owner-chemistry : ccl.net>:
> Dear Friends,
> I would like to know about the programmes that can handle
periodic boundary
> conditions using semi empirical methods.
> I know MOPAC2009 could do that, but i find it difficult to find the
> documentation.
> In this regards, could any one help me to find something similar if
> available for free.
>
> --
> Regards,
> Dr. Sanjay Bharathwaj Kumar,
> Dharmendra Institute of Technology,
> India.
>