From pw_users@pwscf.org  Thu Feb 20 20:55:03 2003
From: pw_users@pwscf.org (Paolo Giannozzi)
Date: Thu, 20 Feb 2003 21:55:03 +0100
Subject: [Pw_users] New PWscf version
Message-ID: <200302202155.03588.giannozz@nest.sns.it>

A new version (1.2.0) of the PWscf package is available for
download on the web site http://www.pwscf.org. The new version=20
contains many changes, improvements, bug fixes. Everybody who=20
is using the PWscf package is encouraged to upgrade and to
report problems to the mailing list.

This release is the first step of a project aiming at a full
integration and interoperability of PWscf with the Car-Parrinello
codes FPMD (Cineca Bologna and Sissa Trieste) and CP=20
(IRRMA Lausanne and Princeton University), recently released=20
under the GNU license, soon available for download from
the web site http://www.democritos.it

Major changes:
- faster iteration to self-consistently (if you find a case in
  which this is not true, please let us know)
- better format for input data
- a new unified pseudopotential file (UPF) has been introduced;
  old formats are still recognized, but we strongly encourage to
  convert pseudopotential files using the converters provided
  with the code
- new output data file format (this is invisible to users)
- calculation of dielectric tensor with ultrasoft pseudopotentials
  (experimental)
- faster scf and phonon calculation when using Gamma point only
  (experimental)
- a GUI (Graphical User Interface) for input data is available
  as a separate package (experimental, contributed by Tone Kokalj)
- a new unified pseudopotential file (UPF) has been introduced;
  old formats are still recognized, but we strongly encourage to
  convert pseudopotential files using the converters provided
  with the code

Note that the both the directory structure of the package and the=20
installation mechanism has changed a bit. New examples with the
new input data structure are available.

The PWscf group


From pw_users@pwscf.org  Fri Feb 21 14:31:51 2003
From: pw_users@pwscf.org (Stefano Baroni)
Date: Fri, 21 Feb 2003 15:31:51 +0100
Subject: [Pw_users] New PWscf version
In-Reply-To: <200302202155.03588.giannozz@nest.sns.it>
References: <200302202155.03588.giannozz@nest.sns.it>
Message-ID: <3E563857.60208@sissa.it>

Bene, Grazie. Ho inviato il tuo testo ai segons dello psi-k e di fsatom
Stefano

Paolo Giannozzi wrote:

>A new version (1.2.0) of the PWscf package is available for
>download on the web site http://www.pwscf.org. The new version 
>contains many changes, improvements, bug fixes. Everybody who 
>is using the PWscf package is encouraged to upgrade and to
>report problems to the mailing list.
>
>This release is the first step of a project aiming at a full
>integration and interoperability of PWscf with the Car-Parrinello
>codes FPMD (Cineca Bologna and Sissa Trieste) and CP 
>(IRRMA Lausanne and Princeton University), recently released 
>under the GNU license, soon available for download from
>the web site http://www.democritos.it
>
>Major changes:
>- faster iteration to self-consistently (if you find a case in
>  which this is not true, please let us know)
>- better format for input data
>- a new unified pseudopotential file (UPF) has been introduced;
>  old formats are still recognized, but we strongly encourage to
>  convert pseudopotential files using the converters provided
>  with the code
>- new output data file format (this is invisible to users)
>- calculation of dielectric tensor with ultrasoft pseudopotentials
>  (experimental)
>- faster scf and phonon calculation when using Gamma point only
>  (experimental)
>- a GUI (Graphical User Interface) for input data is available
>  as a separate package (experimental, contributed by Tone Kokalj)
>- a new unified pseudopotential file (UPF) has been introduced;
>  old formats are still recognized, but we strongly encourage to
>  convert pseudopotential files using the converters provided
>  with the code
>
>Note that the both the directory structure of the package and the 
>installation mechanism has changed a bit. New examples with the
>new input data structure are available.
>
>The PWscf group
>
>_______________________________________________
>Pw_users mailing list
>Pw_users@pwscf.org
>http://www.democritos.it/mailman/listinfo/pw_users
>  
>