CCL: Software for Ab initio DFT calculations

[Tymofii Nikolaienko <tim_mail]-[ukr.net>]

The binaries of NwChem 6.0 compiled for 32-bit Windows under Cygwin are available at http://timn.ho.ua/ccs
and Windows-compatible the 6.1.1 version of NwChem is coming soon...


31.10.2012 19:26, Nuno A. G. Bandeira nuno.bandeira],[ist.utl.pt wrote:

On 31/10/2012 15:30, Olasunkanmi Lukman Olawale walecomuk(_)yahoo.co.uk wrote:

Dear Subscribers,

Does anyone know the source of a freeware that can perform Ab initio and/or DFT calculations.

I will prefer WINDOWS based applications.

Thank you in anticipation of your responses.

* ORCA (http://www.thch.uni-bonn.de/tc/orca/)
* GAMESS (http://www.msg.ameslab.gov/gamess/download.html)
* NWChem (http://www.nwchem-sw.org/index.php/Main_Page)

The latter you'll need to compile in the cygwin environment.

Best,
Nuno

--
 Nuno A. G. Bandeira, AMRSC
 C8 - Centro de Química e Bioquímica
 FCUL, Campo Grande
 Lisbon 1749-016
 PORTUGAL
 http://www.researcherid.com/rid/B-6399-2012
 http://pt.linkedin.com/pub/nuno-a-g-bandeira/47/55a/2aa
 --