mirror of https://github.com/abinit/abinit.git
36 lines
1.2 KiB
Markdown
36 lines
1.2 KiB
Markdown
---
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description: How to perform calculations on a wavelet basis
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authors: MT
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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 calculations on a wavelet basis with the ABINIT package.
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## Introduction
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A wavelet basis (instead of a plane wave basis) can be used in ABINIT. With a
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wavelet basis, one can perform basic static DFT calculations with selected
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norm-conserving pseudopotentials (HGH or GTH pseudopotentials
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[[cite:Genovese2008]]), but also with PAW atomic data [[cite:Rangel2016]]).
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Available also : the finite size corrections to the total energy, restart on
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wavefunctions following the ETSF norm and geometry relaxation using BFGS.
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Molecular dynamic is also available for test purposes.
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However, DFPT or excited-state calculations (except Δ-SCF) cannot be
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performed.
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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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## Tutorials
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* [[tutorial:paral_gswvl|Parallelism for ground-state calculations, with wavelets]] presents the parallelism of ABINIT, when wavelets are used as a basis function instead of planewaves, for the computation of total energy, density, and ground state properties
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