CCL: Which program to optimize the crystal structure of transition metal complex?

From: Andrey Bliznyuk <aab900- -gmail.com>
Subject: CCL: Which program to optimize the crystal structure of transition metal complex?
Date: Sun, 22 Nov 2009 20:31:20 +1100

 Sent to CCL by: Andrey Bliznyuk [aab900::gmail.com]
 Hi,
 >> What I am looking for is a program being able to optimize the *crystal
 >> structure* (solid state), not only a single molecule in vacuo (I know
 >> that Turbomole and Orca master in it...).  In the other
 words: I would
 >> like to optimize the molecules in the crystal and the parameters of
 >> the unit cell, simultaneously. I don't think these features are really
 >> implemented in Turbomole or Orca (or maybe I am wrong?)
 >>
 >> My question is still open for your suggestions!
 There are so many of them: Plane wave: Castep, Vasp, Onetep, CPMD
 Atomic basis set: Siesta and I am sure there are something else I don't recall.
 Best wishes,
 Andrey