Siesta Documentation ============================== .. rst-class:: center .. figure:: extra/logos/SIESTA-logo-233x125.png :alt: SIESTA logo | |Original paper| |Latest paper| |Original TranSIESTA paper| |Latest TranSIESTA paper| | |Install SIESTA using conda| |Conda Downloads| **SIESTA** is a program for **efficient electronic structure calculations** and ab initio molecular dynamics simulations of molecules and solids in the framework of **Density-Functional Theory (DFT)**. .. grid:: 1 1 2 2 :gutter: 2 .. grid-item-card:: :fas:`person-chalkboard` -- Tutorials :link: tutorials/index :link-type: doc Let us show you how to do things with SIESTA! .. grid-item-card:: :fas:`book-open` -- User guide :link: reference/siesta :link-type: doc Explore all the features of SIESTA. .. grid-item-card:: :fas:`screwdriver-wrench` -- Installation. :link: installation/quick-install :link-type: doc Installing SIESTA is easier than you might think. .. grid-item-card:: :fas:`quote-left` -- Citing SIESTA. :link: extra/citingsiesta :link-type: doc Find the SIESTA papers you need! .. grid-item-card:: :fab:`youtube` -- Video Lectures. :link: tutorials/videolectures :link-type: doc Learn the theory behind SIESTA. .. grid-item-card:: :fab:`discord` -- Chat with us! :link: https://discord.gg/AqjX6aTNXR :link-type: url Join our Discord channel to share results or get help. .. toctree:: :maxdepth: 1 :hidden: installation/index.rst tutorials/index.rst analysis_visualization/index.rst reference/index.rst hpc/index.rst extra/citingsiesta.rst .. |Original paper| image:: https://img.shields.io/endpoint?url=https%3A%2F%2Fapi.juleskreuer.eu%2Fcitation-badge.php%3Fshield%26doi%3D10.1088%2F0953-8984%2F14%2F11%2F302&label=Original%20paper :target: https://doi.org/10.1088/0953-8984/14/11/302 .. |Latest paper| image:: https://img.shields.io/endpoint?url=https%3A%2F%2Fapi.juleskreuer.eu%2Fcitation-badge.php%3Fshield%26doi%3D10.1063%2F5.0005077&label=Latest%20paper :target: https://doi.org/10.1063/5.0005077 .. |Original TranSIESTA paper| image:: https://img.shields.io/endpoint?url=https%3A%2F%2Fapi.juleskreuer.eu%2Fcitation-badge.php%3Fshield%26doi%3D10.1103%2FPhysRevB.65.165401&label=Original%20TranSIESTA%20paper :target: https://doi.org/10.1103/PhysRevB.65.165401 .. |Latest TranSIESTA paper| image:: https://img.shields.io/endpoint?url=https%3A%2F%2Fapi.juleskreuer.eu%2Fcitation-badge.php%3Fshield%26doi%3D10.1016%2Fj.cpc.2016.09.022&label=Latest%20TranSIESTA%20paper :target: https://doi.org/10.1016/j.cpc.2016.09.022 .. |Install SIESTA using conda| image:: https://img.shields.io/conda/v/conda-forge/siesta :target: https://anaconda.org/conda-forge/siesta .. |Conda Downloads| image:: https://anaconda.org/conda-forge/siesta/badges/downloads.svg :target: https://anaconda.org/conda-forge/siesta