Hii I am doing calculation using siesta lda+u Instead of that can I do calculation by using beta release siesta4.1.? On 31 Aug 2016 15:32, "Nick Papior" <nickpap...@gmail.com> wrote:
> We are pleased to announce the release of Siesta-4.1-b1. > > This version is a major step in development for Siesta and introduces many > new features. > We encourage all users to test this beta version but advice to compare > against Siesta 4.0 as this is a beta release. > > Please read the Release Notes shipped with the sources which may be found > here: > > http://launchpad.net/siesta/4.1/4.1-b1 > > Note in particular the BACKWARD COMPATIBILITY ISSUES section in the > Release Notes for some important issues regarding backwards compatibility > with prior versions. > > See the file REPORTING_BUGS in the Docs/ directory of the distribution for > instructions to report bugs and suggestions. > > Some of the introduced features are: > - LDA+U > - Spin-orbit coupling > - PEXSI method for exa-scale calculations > - MRRR diagonalization > - ELPA diagonalization > - N-electrode TranSiesta with improved performance > > > On behalf of the Siesta team > >
