[Pw_forum] New PWscf version

Paolo Giannozzi giannozz at nest.sns.it
Wed Feb 25 14:33:09 CET 2004

A new version (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 another step towards full integration and 
interoperability of PWscf with the Car-Parrinello codes 
FPMD and CP. The entire updated package is available for 
download from http://www.democritos.it

Major changes:
- various bug fixes
- automatic installation procedure via a "configure" script
- new features: 
  - noncolinear magnetism
  - transition paths and barriers with the Nudged Elastic Band (NEB) 
    method (also available with CP and FPMD)
  - new algorithms for structural relaxation
  - effective charges with ultrasoft pseudopotentials and linear response

- files produced by preceding versions may be unreadable

Note that the Gamma-point version of the code for electronic-structure
self-consistent calculation has been merged into the main code. 

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

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