This is the Linux app named PY-Nodes whose latest release can be downloaded as PY-Nodes-2022.2.tar.xz. It can be run online in the free hosting provider OnWorks for workstations.
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PY-Nodes
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DESCRIPTION
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
Features
- Efficient searching of band-touching points in the first Brillouin zone of any given material.
- First principle approach is used.
- Band-touchings associated with any number of bands can be searched.
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/py-nodes/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
