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[–] The_Cat [S] 0 points 2 points (+2|-0) ago 

Well, you can always check out this list of software, especially the ones that are open source. From those I only know ABINIT, CP2k, EXCITING, elk, Quantum ESPRESSO and SIESTA. But I know each of those are top-of-the-line software packages for molecular and solid state quantum chemistry. I really cannot promise that you'll be able to understand or use any of it though, these things usually aren't user friendly at all.

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[–] Awakening 0 points 1 point (+1|-0) ago 

Are you just saying all this so I don't go Rainman on these programs and take your job? Stop holding me down!

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[–] The_Cat [S] 0 points 2 points (+2|-0) ago 

More to make sure that you won't feel bad if you can't figure it out :p