Files useful for tutorials and teaching using SIESTA code, analysis using python and visualization with VMD.

SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. https://siesta-project.org/siesta/

The python codes require to import standard numpy and matplotlib and also the python library SISL for electronic structure calculations https://sisl.readthedocs.io/en/latest/index.html

The visualization program VMD can be found here: https://www.ks.uiuc.edu/Research/vmd/

For SIESTA tutorials check out here: https://sisl.readthedocs.io/en/latest/tutorials.html#siesta-transiesta-support https://docs.siesta-project.org/projects/siesta/en/latest/tutorials/index.html