Automatic construction of wannier functions for any 3D transition metal based system with or without SOC
Automatic construction of wannier functions for any 3D transition metal based system with or without SOC Written by Ilias Samathrakis and Zeying Zhang The algorithm is summarized briefly in J. Phys. Chem. Lett. 2018, 9, 21, 6224–6231https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.8b02800 INTRODUCTION We present an open-source code, written in Python, that is used toconstruct wannier functions for any 3D transition metal based systemwith or without SOC automatically. REQUIREMENTS The code is only tested on Linux systems and requires Python3 and the library ‘pymatgen’ Download […]
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