SPIN: [S]imple [P]ython [I]pywidgets [N]otebook interface to obtain the optoelectronic properties of materials employing DFT

Published: 6 December 2022| Version 1 | DOI: 10.17632/5w2fjk4h3y.1
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Description

The Simple Python Ipywidgets Notebook interface to obtain the optoelectronic properties of materials (SPIN) is an open source graphical user interface that allows users to work with standard SIESTA files and perform end-to-end atomic level simulation processes. It contains the complete flow, from the construction and visualization of structures or systems until the pre-processing, execution, and post-processing of calculations such as structure optimization, electronic properties like band structure, density of states (DOS), and optical properties. SPIN is an easy-to-use and fast-learning solution written in Python and built from Ipywidgets. However, the end-user can use all available features without the need for Python language knowledge.

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Condensed Matter Physics, Computational Physics, Optical Property of Condensed Matter, Electronic Property of Condensed Matter

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