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

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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Identifier
DOI https://doi.org/10.17632/5w2fjk4h3y.1
PID https://nbn-resolving.org/urn:nbn:nl:ui:13-s9-fw2f
Metadata Access https://easy.dans.knaw.nl/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:easy.dans.knaw.nl:easy-dataset:265877
Provenance
Creator Ballantyne, J
Publisher Data Archiving and Networked Services (DANS)
Contributor John Ballantyne
Publication Year 2022
Rights info:eu-repo/semantics/openAccess; License: http://opensource.org/licenses/MIT; http://opensource.org/licenses/MIT
OpenAccess true
Representation
Resource Type Dataset
Discipline Other