From giannozz at nest.sns.it  Fri May 16 08:53:19 2008
From: giannozz at nest.sns.it (Paolo Giannozzi)
Date: Fri, 16 May 2008 08:53:19 +0200
Subject: [Pw_users] Quantum-Espresso v.4
Message-ID: <482D2F5F.60401@nest.sns.it>

Version 4.0 of the Quantum-ESPRESSO distribution is available for
download from the website http://www.quantum-espresso.org . This is a
major new release containing many improvements over previous versions:

- Better scalability on massively parallel machines: more arrays are
   distributed and processed in parallel, thus removing CPU and memory
   bottlenecks - CP has been demonstrated to run on up to 4000 processors

- Projector Augmented Wave (PAW) is implemented

- Calculation of NMR chemical shifts using GIPAW (Gauge-Independent PAW)

- Inclusion of the Wannier90 code (http://www.wannier.org/) for
   calculation of maximally localized Wannier functions

- Many other minor improvements: cleanup, porting to new architectures,
   many bugs fixed (and new bug opportunities added: please help
   debugging!)

Everybody who is using the Quantum-ESPRESSO distribution is encouraged
to upgrade and to report problems to the mailing list.

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