Subject: software recomendations

From: phil stortz <[email-masked]>
Date: Mon, 29 May 2000 23:13:07 -0600

can anyone recommend a good package for modeling inorganic
compounds/crystals and their band gaps?  i'm interested
in the visible and uv spectra, i.e. electronic spectra of inorganics,
in their pure state and doped both as single crystals and pressed solids.
i'm self learning inorganic chemistry after having some college.
i'm very computer literate so i could probably use some of the
open source programs if appropriate and would have no trouble
compiling them etc.  as i'm partially disabled on a fixed income
cost is definitely an issue, although i could afford some of the
lower cost commercial packages (<$1000).  platform is not to much
of an issue as i have access to pc's and mac, although i do prefer
the mac.  

i'd also be very interested in the "legendary" atomic energy levels
compilation by charlotter moore and the Nist tables mentioned by John
Kerkines, if they applied to condensed states.

i won't be making a purchase for several months.  i've been lurking on
this list for over a year and hope to eventually contribute.

my previous experience is mostly with electronics and vacuum systems, i'd
be more than happy to offer advice or design help to anyone who could help.

thanks!

-- 
Duckman and Cornfed in 2000!  we already know ones a womanizer and
the other's a pig, but at least they're both honest and one's smart.