CP2K Open Source Molecular Dynamics

Crystal structures database

1. Bilbao Crystallographic Server : http://www.cryst.ehu.es/
2. Crystallography Open Database : http://www.crystallography.net/cod/search.html
3. Material Project: https://materialsproject.org/

Modeling Software

1. Avogadro : https://avogadro.cc/
2. VESTA : http://jp-minerals.org/vesta/en/
3. VMD : http://www.ks.uiuc.edu/Research/vmd/

Useful Tutorial

1. Building slab using VESTA : http://hjkgrp.mit.edu/content/building-slab-geometries-catalysis-vesta
2. Building slab using Avogadro : https://avogadro.cc/docs/building-materials/building-a-crystal-slab/

Data visualization

1. Gnuplot : http://www.gnuplot.info/help.html
2. Matplotlib : https://matplotlib.org/
3. Ploty - online interactive matplotlib : https://plot.ly/matplotlib/

Report writing

1. Overleaf : http://www.overleaf.com
2. ShareLatex : http://www.sharelatex.com