That is a great news! Dear Alberto, is there a plan in the SIESTA development to adopt the LIBXC library (link1 <http://www.tddft.org/programs/octopus/wiki/index.php/Libxc>)? This library has implemented many functionals (link2 <http://www.tddft.org/programs/octopus/wiki/index.php/Libxc_functionals>) that aren´t in SIESTA.
Best regards, []'s, Camps On Mon, Dec 28, 2015 at 10:47 AM, Alberto Garcia <[email protected]> wrote: > We are happy to announce the availability of a beta version of the > upcoming Siesta 4.0 release. > > This version includes the van der Waals functionals, the new > load-balancing code for real-space grid operations, a Wannier90 > interface, a new Orbital-Minimization-Method solver, and other > improvements and bug fixes that have been part of the development > version for some time. > > Users are encouraged to download and test this version for production > runs. > > You can find Siesta-4.0b in the "Access to the code" section of the > Siesta website. > > To report any remaining issues and suggestions, see > Docs/REPORTING_BUGS, but please check first the list of known issues > and workarounds at the website. > > Thanks for your patience and continuous support. > > The Siesta team > >
