A tool interfaced to VASP and Wannier90 with projection analysis and automatically dis energy window optimization

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Project description

pyw90

A tool interfaced to VASP and Wannier90 with projection analysis and automatically dis energy window optimization.

Key features includes:

Show distribution of eigenvalues.
Pre-analysis before Wannier90 interpolation with projection and dis energy window recommendation
Auto Wannier90 Fit. Using minimize method to choose the most suitable dis energy windows. 4. Comparison. Show difference between VASP bands and Wannier90 bands via plotting and report. '

These details have not been verified by PyPI

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

1.0.7

Jun 6, 2023

1.0.6

Oct 14, 2022

1.0.5

Sep 23, 2022

1.0.4

Sep 20, 2022

1.0.3

Sep 19, 2022

1.0.2

Sep 16, 2022

This version

1.0.1

Sep 15, 2022

1.0.0

Sep 15, 2022

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Uploaded Sep 15, 2022 Source

Uploaded Sep 15, 2022 Python 3

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