mirror of https://github.com/abinit/abinit.git
38 lines
1.3 KiB
Markdown
38 lines
1.3 KiB
Markdown
---
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description: How to use the symetry information to build the system from the irreducible part of the primitive cell
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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 use the symetry information to build the system from the irreducible part of
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the primitive cell with the ABINIT package.
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## Introduction
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Sometimes, the user knows the space group of the system, the conventional cell
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vectors, as well as the positions of atoms in the asymmetric (irreducible)
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part of the cell. From such data, ABINIT can generate the usual primitive cell
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vectors, as well as the coordinates of all the atoms in this cell.
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This is activated if [[spgroup]]!=0 and [[brvltt]]=-1. The user needs to
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specify the number of atoms to be read [[natrd]] in the asymmetric part of the
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cell, as well as the expected number of atoms [[natom]] in the primitive cell.
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Some additional information on the axes orientation [[spgaxor]] and the cell
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origin [[spgorig]] might also have to be given.
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See [[help:spacegroup|the space group help file]]
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The specification of a magnetic space group is even possible
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(antiferromagnetic). See [[spgroupma]] and [[genafm]].
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See also the [[topic:UnitCell]].
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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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