$Id: release.notes_0.11,v 1.4 1999/05/18 17:23:28 ordejon Exp $

Release Notes for SIESTA-0.11, May 18, 1999

This is a list of the major new features and fixes added to the program since
the last main release, SIESTA-0.9. All the changes are documented in the 
SIESTA manual (Docs/siesta.tex). A complete list of changes can also
be found in the Docs/CHANGES file.

User-interface Changes

* The environmental variable determining the architecture/compiler/library
  setting (formerly ARCH) is now SIESTA_SYS.

Major new features

* Non-collinear spin
* Transparent and more efficient k-sampling
* Charged systems
* Fixed spin states
* Order(N) computation of the Fermi level, for estimates of eta parameter
* Revision of atomic part of SIESTA, including improved basis input.
* Variable cell conjugate-gradient relaxation
* Grid-cell sampling for improved mesh convergence
* Package VIBRA (P. Ordejon) added to compute phonons
* Package DENCHAR (J. Junquera) added for contour plotting
* Addition of post-processing utilities: energy bands, density of states,
  contour plotting for charge distributions (see Util/ directory)
* Option to save the deformation density (charge - atomic charges)
* Revised output, with more options for standard output, and extra files
* Conjugate gradient continuation files
* Manual extension, including alphabetic index
* User.Guide revision in the pseudopotential-generating atom program
* Revision of utility scripts (msiesta, rsiesta, rrsiesta ..)
* Pulay mixing improvement
* Efficiency improvements in some parts
* LAPACK diagonalization for propietary libraries in some systems

Major Bug fixes

* Order-N routines had wrong handling of dimensions. Fixed.
* Basis type 'user' had a wrong format. Fixed.
* Several problems with MD routines fixed.
* LDOS incorrectly calculated. Fixed.
* Overlap was incorrect for L>2, including the f Kleinman-Bylander operators,
  due to an insufficient dimension. Fixed.
