We have released a new Siesta development snapshot (trunk-433) which includes:
- The implementation (by Fabiano Corsetti) of an orbital-minimization method without localization that can be used as an alternative to diagonalization. - The JobList suite of utilities (by Jose Soler) to organize, to run or queue, and to collect results of multiple siesta jobs. It is particularly suited for preliminary convergence tests, and it uses only fortran codes and minimal shell scripts. The snapshot is available in the "Access to the code" section of the Siesta website. See the Docs/CHANGES file and the manual for more information about the new features. To report any remaining issues, see Docs/REPORTING_BUGS Thanks for your patience and continuous support. The Siesta team
