=====Crystal structures database===== - Bilbao Crystallographic Server : http://www.cryst.ehu.es/ - Crystallography Open Database : http://www.crystallography.net/cod/search.html - Material Project: https://materialsproject.org/ =====Basis set database===== - Basis Set Exchange: https://www.basissetexchange.org/ =====Modeling Software===== - Avogadro : https://avogadro.cc/ - VESTA : http://jp-minerals.org/vesta/en/ - VMD : http://www.ks.uiuc.edu/Research/vmd/ =====Useful Tutorial===== - Building slab using VESTA : http://hjkgrp.mit.edu/content/building-slab-geometries-catalysis-vesta - Building slab using Avogadro : https://avogadro.cc/docs/building-materials/building-a-crystal-slab/ =====Data visualization===== - Gnuplot : http://www.gnuplot.info/help.html - Matplotlib : https://matplotlib.org/ - Ploty - online interactive matplotlib : https://plot.ly/matplotlib/ =====Report writing ===== - Overleaf : http://www.overleaf.com