PY-Nodes

PY-Nodes is a Python 3 based code designed for searching nodes (bands-degenerate points) associated with two or more bands in a given material using the first-principle approach. This code is helpful in efficient searching of the nodes present in the topological semimetals such as- Weyl semimetals, Dirac semimetals & nodal-line semimetals. The code is presently interfaced with the WIEN2k package. The algorithm of the code is based on the Nelder-Mead’s function-minimization approach. The code minimizes the function f(k), which is defined as sum of the absolute energy difference of the adjacent pairs of bands at a given k-point.


Please cite the paper mentioned below while using the PY-Nodes code for your research.

V. Pandey and S.K. Pandey, Comput. Phys. Commun. 283, 108570 (2023).

The link of the paper: https://doi.org/10.1016/j.cpc.2022.108570