From giannozz at democritos.it  Thu Jul 23 11:34:30 2009
From: giannozz at democritos.it (Paolo Giannozzi)
Date: Thu, 23 Jul 2009 11:34:30 +0200
Subject: [Pw_users] Quantum ESPRESSO v.4.1
Message-ID: <4A682EA6.2020209@democritos.it>

Version 4.1 of the Quantum-ESPRESSO distribution is available for
download from the website http://www.quantum-espresso.org . This
release contains several improvements over previous versions:

   * New exchange-correlation functionals:
     PBEsol and WC (courtesy of Willam Parker)
     LDA with finite-size corrections (Kwee, Zhang, Krakauer,
     courtesy of Ester Sola and Dario Alfe)

   * Dispersion calculation with DFT-D (Grimme, courtesy of
     Daniel Forrer and Michele Pavone)

   * mixed openMP-MPI parallelization: both CP and PWscf have been
     demonstrated to run on 65536 processors

   * Many other minor improvements: cleanup, porting to new
     architectures, many bugs fixed (and new bug opportunities
     added: please help debugging! see file Doc/release-notes
     for a list of fixed bugs)

Everybody who is using the Quantum-ESPRESSO distribution is encouraged
to upgrade and to report problems to the mailing list. Please note that
the distribution has been split into three packages:
   1) sources and documentation
   2) tests, examples, pseudopotentials needed to run them
   3) GUI (Graphical User Interface)

The Quantum-ESPRESSO group
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy