Dear SIESTers, I will like to share with you this information about a recent paper describing a Graphical User Interface ready to use with our beloved SIESTA:
GUI4dft-A SIESTA oriented GUI Computer Physics Communications 262 (2021) 1078 DOI: [image: image.png] https://doi.org/10.1016/j.cpc.2021.1078430 <https://doi.org/10.1016/j.cpc.2021.1078430?fbclid=IwAR1zmhbjOc1S2EOo0vYO2RrIaAoRH6LS99PzQSyxUCY60-BcEUf8RUy4Lmo> Abstract. The Graphical User Interface for Density Functional Theory (GUI4dft) is a new software for users ofSIESTA. It is a free cross-platform software with a graphical user interface. GUI4dft allows the user towork with standard SIESTA files and prepare manuscript-quality figures of the atomic structure andproperties such as three-dimensional charge density distributions, DOS, PDOS, and band structure. GUI4dft is written in Python language and falls under an MIT license. Program summary Program title: GUI4dft. CPC Library link to program files: [image: image.png] https://doi.org/10.17632/htrvwm7k2h.1 <https://l.facebook.com/l.php?u=https%3A%2F%2Fdoi.org%2F10.17632%2Fhtrvwm7k2h.1%3Ffbclid%3DIwAR2oeG2nRBvDKlOnaxh1GjJ8KAAypqBLgtCAAas6a8rZML6yB_8x5bLqweE&h=AT0bg7PaXiVPgR2X9YcyWLFV3HQA9HGtaJQdeNdU1Suedi5ZLKk6nmNfBVe3xirPCuyZ_wYBAXyvRQ60A9LYfcALeVlF6vn1o4aDMZFbgbuKMqWpvjpsCXYfECZPbhlfprTf&__tn__=-UK-R&c[0]=AT2XraD5tFXL4p0YCK9LppIzL7lFZBxdFoH-juZ40kVjb5X--bBPE7HUiJwC6GUyNMyoH9Q0FGpmw6pT1L7UalUClf1b33VuRLQf-x-rLecFaYnB-yXPs5WlMA7GQVdyfV_ohEK2JVWaHfOvKpKKZ6BoLPRI7d-647Xwnt4T1idj0YGIs52WHLTWuF3_WT_7_t2ceDm_V1VcHdyHQQ> Developer’s repository link: [image: image.png] https://github.com/sozykinsa/GUI4dft <https://github.com/sozykinsa/GUI4dft?fbclid=IwAR1zmhbjOc1S2EOo0vYO2RrIaAoRH6LS99PzQSyxUCY60-BcEUf8RUy4Lmo> Licensing provision: MIT. Programming language: Python 3. External routines/libraries: PyQt5, OpenGL, Scipy, Numpy, Scikit-ima []'s, Camps
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
