mirror of https://github.com/abinit/abinit.git
34 lines
1.0 KiB
Markdown
34 lines
1.0 KiB
Markdown
---
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description: How to perform orbital-free calculations
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authors: FJ
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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 orbital-free calculations with the ABINIT package.
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## Introduction
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It is possible to use Thomas-Fermi kinetic functional (explicit functional of
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the density) or Thomas-Fermi-Weizsacker kinetic functional (with Gradient
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Corrections) instead of Kohn-Sham kinetic energy functional (implicit
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functional of the density through Kohn-Sham wavefunctions).
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See [[cite:Perrot1979]].
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The Recursion Method may be used in order to compute electronic density,
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entropy, Fermi energy and eigenvalues energy. This method computes the density
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without computing any orbital, is efficient at high temperature, with a
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efficient parallelization (almost perfect scalability).
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At present, it only works for local pseudopotentials, severely restricting the
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use of this method.
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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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