From pw_users@pwscf.org  Thu Sep 23 11:10:10 2004
From: pw_users@pwscf.org (Paolo Giannozzi)
Date: Thu, 23 Sep 2004 12:10:10 +0200
Subject: [Pw_users] New PWscf version
Message-ID: <200409231210.10135.giannozz@nest.sns.it>

Version 2.1 of PWscf is available for download from the web site 
http://www.pwscf.org . Starting from the present version PWscf will 
be released together with the accompanying packages in a single 
distribution named ESPRESSO (opEn-Source Package for Research in 
Electronic  Structure, Simulation, and Optimization). The numbering 
of the ESPRESSO distribution will follow the convention presently 
adopted for PWscf (i.e. the first release of ESPRESSO will be 2.1,
including PWscf 2.1). ESPRESSO will include PWscf, the Car-Parrinello
codes FPMD and CP, as well as various post-processing tools, programs
for pseudo-potential generation, and a new fancy graphical user 
interface.

Everybody who is using the PWscf package is encouraged to upgrade 
and to report problems to the mailing list.
Major changes wrt previous version 2.0.4:
- "configure" extended to many more machines
- noncolinear magnetism with spin-orbit 
- Fourier String Method Dynamics
- nonresonant Raman coefficients with the (2n+1) theorem
- electric field gradients

Incompatibilities:
- data files produced by preceding versions may be unreadable
  by this version
- the FPMD executable is now called "fpmd.x"
  the Gamma-only phonon code is now called "phcg.x"

-- 
Paolo Giannozzi             e-mail:  giannozz@nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy