matgenb – Generating surface slabs and Wulff shapes By FirstCoderApril 13, 2017April 16, 2017matgenb Richard Tran has written an excellent Jupyter notebook on how you can use pymatgen to automatically generate surface slabs and analyzing calculated surface energies to construct the Wulff shape. Check it out here. Share this:Click to share on LinkedIn (Opens in new window)Click to share on Facebook (Opens in new window) Related