[CPMD-list] New stable CPMD version - CPMD V3.9.2

[Alessandro Curioni]

Dear CPMD users,

finally   the long awaited  CPMD  update  is ready for you!!!   ( CPMD V 
3.9.2).

This version contains several bug fixes, improved OpenMP parallelization, 
ports for 
Mac OS-X,  CrayX1, IBM POWER5 (AIX and PowerLinux) and IBM JS20 
blades(PowerLinux).
Moreover the  utility cpmd2cube has been   greatly improved  (many thanks 
to Axel Kohlmeyer),
the  tests cases   cleaned and extended, and a more complete pseudo 
potential library  is now available (  many thanks to Mauro Boero).

The pubblication list on the web site has been updated to 2004 (please 
check and report error and/or omissis).
We suggest to have a look also to the new CPMD tutorial 
http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-tutor/ 
(thanks to Axel Kohlmeyer, Carmen Rovira and  Roger Russeau).


Best Regards,

Your CPMD team.




Alessandro CURIONI, PhD
Research Staff Member
Computational Biochemistry and Material Science group
IBM Research Division - Zurich Research Laboratory
Saumerstrasse 4
8003 Rueschlikon - Switzerland
e-mail: cur at zurich.ibm.com
www:    www.zurich.ibm.com
Tel: +41-1-7248633
Fax: +41-1-7248958
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