CCL:G: Solid state DFT Gaussian 09w

 Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal
 [victor-$-fluor.quimica.uniovi.es]
 On Fri, Nov 28, 2014 at 08:55:07PM +0530, Partha Sengupta anapspsmo**gmail.com
 wrote:
 > Friends, I want to calculate the electronic properties of a single crystal
 > system containing Cu, Pt as central atom.
 > How can I start the calculation in Gaussian 09w?
 > Please tell me the route section.
 g09 can do solids but it is certainly not a solid state code. There
 are many solid state codes that could serve you better and many are
 available for free on an academic environment. To name a few: siesta,
 wien2k, elk, quantum espresso, crystal09, ...
 Regards,
         Dr. Víctor Luaña
 --
        \|/a  "After years of working on a problem the genius shout:
       |^.^|     what an idiot I am ... the solution is trivial!'
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 !            Dr.Víctor Luaña                   !
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