mirror of https://github.com/abinit/abinit.git
25 lines
722 B
Markdown
25 lines
722 B
Markdown
---
|
|
description: How to optimize the geometry under constrained polarization
|
|
authors: MT
|
|
---
|
|
<!--- This is the source file for this topics. Can be edited. -->
|
|
|
|
This page gives hints on how to optimize the geometry under constrained polarization with the ABINIT package.
|
|
|
|
## Introduction
|
|
|
|
Compute polarization in cartesian coordinates, and update lattice constants
|
|
and atomic positions in order to perform a structural optimization at
|
|
constrained polarization, following the formalism described in Na Sai et al,
|
|
PRB 66, 104108 (2002). More details in [[anaddb:polflag]]. The geometry
|
|
optimization is done in ANADDB.
|
|
|
|
## Related Input Variables
|
|
|
|
{{ related_variables }}
|
|
|
|
## Selected Input Files
|
|
|
|
{{ selected_input_files }}
|
|
|