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 Incompatibilities: - 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
