On 09/29/2013 06:42 PM, Tim wrote: > As a teacher of high school chemistry, I would like to be able to show > students the molecular orbitals of various molecules using Avogadro > rendered with POV-Ray, which has some stunning effects. I do not have > access to Gaussian sofware and wonder if there are open source cube > files for common molecules? Alternatively, is there any open source > software that I could use as an alternative to Gaussian? > > Thanks, > > Tim > > > ------------------------------------------------------------------------------ > October Webinars: Code for Performance > Free Intel webinars can help you accelerate application performance. > Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from > the latest Intel processors and coprocessors. See abstracts and register > > http://pubads.g.doubleclick.net/gampad/clk?id=60133471&iu=/4140/ostg.clktrk > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss Tim,
I think Nwchem may work for you application. It does produce Gaussian cube files. Also check out PSI4 and quantum espresso. -Richard ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60133471&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
