CCL:G: PBC calculations

From: "Dr. Vitaly V. Chaban" <vvchaban|,|gmail.com>
Subject: CCL:G: PBC calculations
Date: Wed, 14 Mar 2012 15:02:45 -0400

 Sent to CCL by: "Dr. Vitaly V. Chaban" [vvchaban~~gmail.com]
 Do you use any k-mesh?
 Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
 Univ. Rochester, Rochester, New York 14627-0216
 THE UNITED STATES OF AMERICA
 On Wed, Mar 14, 2012 at 5:06 AM, Anja Jatsch pipek..gmx.net
 <owner-chemistry/./ccl.net> wrote:
 >
 > Sent to CCL by: "Anja  Jatsch" [pipek:+:gmx.net]
 > Dear ccl users,
 >
 > I am trying to set up a PBC calculation on a measured crystal structure
 (organic), but I always end up with the same error in the MO guess:
 >
 > Dimensions of /B2/ exceeded in AtP2B2.
 > Error termination via Lnk1e in c:\program files\G09W\l401.exe
 >
 > I am using #p pbepbe/3-21g/auto and I really dont have a clue whats the
 problem. There are almost 200 atoms in the unit cell, maybe its to large? But
 Gaussian doesnt complain about the memory
 >
 > Thanks a lot for any idears!
 >
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 >