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- From: Kris Andersen <andersen@physics.ucdavis.edu>
- To: forum@abinit.org
- Cc: tlahuicef@yahoo.com
- Subject: Re: [abinit-forum] Cluster metallic?
- Date: Fri, 30 Sep 2005 13:53:11 -0700
tlahuicef@yahoo.com wrote:
I'm interesting in metallic cluster but i think would be great to hear about somebody are using ABINIT to do the same things. Will somebody be so kind to let me know if using ABINIT is possible in this topic?
What are you interested in (system? properties?). Abinit can certainly do calculations on metal clusters, and I've done calculations on niobium clusters. I don't think the general advice is much different from other cluster calculations. The only thing that comes to mind is that the default parameters for diemac and diemix need to be changed, but that's well documented.
http://www.abinit.org/Infos_v4.6/vargs.html#diemac
http://www.abinit.org/Infos_v4.6/vargs.html#diemix
--
Kristopher Andersen http://yclept.ucdavis.edu/~andersen/
Department of Physics andersen@physics.ucdavis.edu
University of California at Davis (530) 754-9764
- Cluster metallic?, tlahuicef, 09/30/2005
- Re: [abinit-forum] Cluster metallic?, Kris Andersen, 09/30/2005
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