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<!doctype html>
<html lang="en" class="no-js">
<head>
<meta charset="utf-8">
<meta name="viewport" content="width=device-width,initial-scale=1">
<meta name="description" content="Abinit documentation">
<meta name="author" content="The Abinit group">
<link rel="canonical" href="https://docs.abinit.org/">
<link rel="prev" href="INSTALL_gpu/">
<link rel="next" href="guide/abinit/">
<link rel="icon" href="images/favicon.ico">
<meta name="generator" content="mkdocs-1.6.1, mkdocs-material-9.5.43">
<title>NewUser - abinit</title>
<link rel="stylesheet" href="assets/stylesheets/main.0253249f.min.css">
<link rel="stylesheet" href="assets/stylesheets/palette.06af60db.min.css">
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IMPORTANT: Don't use boostrap in particular boostrap.css since it comes into conflict with mkdocs-material theme.
Prefer low-level tools based on Jquery or JS library such as Tippyjs to get the work done.
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<!-- Handle jQuery plugin naming conflict between jQuery UI and Bootstrap
https://stackoverflow.com/questions/13731400/jqueryui-tooltips-are-competing-with-twitter-bootstrap
<script>
$.widget.bridge('uibutton', $.ui.button);
$.widget.bridge('uitooltip', $.ui.tooltip);
</script>
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<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery-modal/0.9.1/jquery.modal.min.js"></script>
<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/jquery-modal/0.9.1/jquery.modal.min.css" />
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<script>
paceOptions = {
ajax: true, // disabled
document: true, // activated
eventLag: false // disabled
//target: 'article'
//elements: {selectors: ['.my-page']}
};
</script>
<!-- MathJax support
<script type="text/javascript" async
src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.1/MathJax.js?config=TeX-MML-AM_CHTML">
</script>
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<!-- This version is compatible with plotly. -->
<script type="text/javascript" async
src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.1/MathJax.js?config=TeX-AMS-MML_SVG">
</script>
<!-- Configure MathJax to produce automatic equation numbers http://docs.mathjax.org/en/latest/tex.html -->
<script type="text/x-mathjax-config">
MathJax.Hub.Config({
//jax: ["input/TeX","output/HTML-CSS"],
//tex2jax: {inlineMath: [['$','$']]},
//displayAlign: "center",
TeX: {
equationNumbers: { autoNumber: "AMS" },
extensions: ["AMSmath.js", "boldsymbol.js"],
Macros: {
"*": "{\\dagger}",
"ra": "{\\rangle}",
"la": "{\\langle}",
// Workaround for bm package. See https://github.com/mathjax/MathJax/issues/1219
bm: ["{\\boldsymbol #1}",1],
// Mathcal symbols
mcL: "{\\mathcal{L}}",
mcG: "{\\mathcal{G}}",
mcR: "{\\mathcal{R}}",
mcS: "{\\mathcal{S}}",
mcC: "{\\mathcal{C}}",
mcO: "{\\mathcal{O}}",
// Acronyms
KS: "{\\text{KS}}",
eph: "{\\text{e-ph}}",
ee: "{\\text{e-e}}",
phph: "{\\text{ph-ph}}",
FM: "{\\text{FM}}",
DW: "{\\text{DW}}",
QP: "{\\text{QP}}",
BZ: "{\\text{BZ}}",
sign: "{\\text{sign}}",
xc: "{\\text{xc}}",
tchi: "{\\tilde\\chi}",
// Symbols commonly used (k-points, eigenvalues ...)
rr: "{\\bf r}",
RR: "{\\bf R}",
tt: "{\\bf t}",
GG: "{\\bf G}",
bg: "{\\bf g}",
kk: "{\\bf k}",
qq: "{\\bf q}",
kq: "{\\kk + \\qq}",
qG: "{\\bf q + G}",
kG: "{\\bf k + G}",
kmq: "{\\kk - \\qq}",
kpq: "{\\kk + \\qq}",
kpG: "{\\kk + \\GG}",
qpG: "{\\qq + \\GG}",
nk: "{n \\kk}",
mk: "{, \\kk}",
nks: "{n \\kk\\sigma}",
mks: "{m \\kk\\sigma}",
enk: "{\\varepsilon_\\nk}",
emkq: "{\\varepsilon_{m\\kk+\\qq}}",
qnu: "{\\qq \\nu}",
wqnu: "{\\omega_{\\qnu}}",
vnk: "{\\mathbf{v}_{n\\kk}}",
vmkq: "{\\mathbf{v}_{m\\kk+\\qq}}",
vnka: "{\\mathrm{v}_{n\\kk,\\alpha}}",
vnkb: "{\\mathrm{v}_{n\\kk,\\beta}}",
ef: "{\\varepsilon_F}",
// EPH quantities
gkkp: "{g_{mn\\nu}(\\kk,\\qq)}",
gkq: "{g_{mn\\nu}(\\kk,\\qq)}",
//\newcommand{\gkkpL}{g_{mn\nu}^\Lc(\kb,\qb)}
// Many-body theory
Go: "{G_0}",
Wo: "{W_0}",
Ueff: "{U_{\\text{eff}}}",
Gove: "{\\overline{G}}",
Gund: "{\\underline{G}}",
// Greek symbols + tilde version
ee: "{\\epsilon}",
tee: "{\\tilde{\\epsilon}}",
ww: "{\\omega}",
tww: "{\\tilde\\omega}",
dd: "{\\,\\text{d}}",
vxc: "{v_\\xc}",
// symrel
Ri: "{\\mcR^{-1}}",
Rit: "{\\mcR^{-1\\tau}}",
// symrec
Si: "{\\mcS^{-1}}}",
Sit: "{\\Si^\\tau}}",
// partial and functional derivative.
PDER: ["{\\dfrac{\\partial #1}{\\partial #2}}", 2],
FDER: ["{\\dfrac{\\delta #1}{\\delta #2}}", 2],
// PAW
tPsi: "{\\tilde\\Psi}",
tpsi: "{\\tilde\\psi}",
tPhi: "{\\tilde\\Phi}",
tphi: "{\\tilde\\phi}",
tprj: "{\\tilde p}"
}
}
});
</script>
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EasyBuild
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Foreword
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Introduction
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The main executable: abinit
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Other programs in the package
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Other resources outside the ABINIT package
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Input variables to abinit
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Output files
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What the code does
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Versioning logic
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Abinit
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Abitk
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Aim
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Anaddb
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