mirror of https://github.com/abinit/abinit.git
27 lines
755 B
Markdown
27 lines
755 B
Markdown
---
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description: How to perform a LDA-1/2 calculation
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authors: F. Jollet, G. Zerah
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---
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<!--- This is the source file for this topics. Can be edited. -->
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This page gives hints on how to perform a LDA-1/2 calculation with the ABINIT package.
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## Introduction
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This feature is available only in PAW. The LDA-1/2 framework is described in
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[[cite:Ferreira2008]]. In ABINIT, the LDA-1/2 approximation needs to use PAW
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data files that contain a small potential vminushalf that is added to the
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local potential inside the code. The LDA-1/2 approach is based on Slater's
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half occupation technique to restore the band gap of semi-conductors and
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insulators.
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## Related Input Variables
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{{ related_variables }}
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## Selected Input Files
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{{ selected_input_files }}
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