au_on_cu.html 5.03 KB
Newer Older
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200


<!DOCTYPE html>
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
<!--[if gt IE 8]><!--> <html class="no-js" lang="en" > <!--<![endif]-->
<head>
  <meta charset="utf-8">
  
  <meta name="viewport" content="width=device-width, initial-scale=1.0">
  
  <title>Au7 in Cu(111) with EMT &mdash; GOFEE  documentation</title>
  

  
  
  
  

  
  <script type="text/javascript" src="../../_static/js/modernizr.min.js"></script>
  
    
      <script type="text/javascript" id="documentation_options" data-url_root="../../" src="../../_static/documentation_options.js"></script>
        <script type="text/javascript" src="../../_static/jquery.js"></script>
        <script type="text/javascript" src="../../_static/underscore.js"></script>
        <script type="text/javascript" src="../../_static/doctools.js"></script>
        <script type="text/javascript" src="../../_static/language_data.js"></script>
    
    <script type="text/javascript" src="../../_static/js/theme.js"></script>

    

  
  <link rel="stylesheet" href="../../_static/css/theme.css" type="text/css" />
  <link rel="stylesheet" href="../../_static/pygments.css" type="text/css" />
    <link rel="index" title="Index" href="../../genindex.html" />
    <link rel="search" title="Search" href="../../search.html" /> 
</head>

<body class="wy-body-for-nav">

   
  <div class="wy-grid-for-nav">
    
    <nav data-toggle="wy-nav-shift" class="wy-nav-side">
      <div class="wy-side-scroll">
        <div class="wy-side-nav-search" >
          

          
            <a href="../../index.html" class="icon icon-home"> GOFEE
          

          
          </a>

          
            
            
          

          
<div role="search">
  <form id="rtd-search-form" class="wy-form" action="../../search.html" method="get">
    <input type="text" name="q" placeholder="Search docs" />
    <input type="hidden" name="check_keywords" value="yes" />
    <input type="hidden" name="area" value="default" />
  </form>
</div>

          
        </div>

        <div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="main navigation">
          
            
            
              
            
            
              <ul>
<li class="toctree-l1"><a class="reference internal" href="../../installation/installation.html">Installation</a></li>
<li class="toctree-l1"><a class="reference internal" href="../../getting_started/getting_started.html">Getting started</a></li>
<li class="toctree-l1"><a class="reference internal" href="../../SLURM/SLURM.html">SLURM job examples</a></li>
<li class="toctree-l1"><a class="reference internal" href="../tutorial.html">Tutorial</a></li>
<li class="toctree-l1"><a class="reference internal" href="../../GOFEE/GOFEE.html">GOFEE</a></li>
</ul>

            
          
        </div>
      </div>
    </nav>

    <section data-toggle="wy-nav-shift" class="wy-nav-content-wrap">

      
      <nav class="wy-nav-top" aria-label="top navigation">
        
          <i data-toggle="wy-nav-top" class="fa fa-bars"></i>
          <a href="../../index.html">GOFEE</a>
        
      </nav>


      <div class="wy-nav-content">
        
        <div class="rst-content">
        
          















<div role="navigation" aria-label="breadcrumbs navigation">

  <ul class="wy-breadcrumbs">
    
      <li><a href="../../index.html">Docs</a> &raquo;</li>
        
      <li>Au7 in Cu(111) with EMT</li>
    
    
      <li class="wy-breadcrumbs-aside">
        
            
            <a href="../../_sources/tutorial/au_on_cu/au_on_cu.rst.txt" rel="nofollow"> View page source</a>
          
        
      </li>
    
  </ul>

  
  <hr/>
</div>
          <div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
           <div itemprop="articleBody">
            
  <div class="section" id="au7-in-cu-111-with-emt">
<span id="au-on-cu-search"></span><h1>Au7 in Cu(111) with EMT<a class="headerlink" href="#au7-in-cu-111-with-emt" title="Permalink to this headline"></a></h1>
<p>In this tutorial we carry out a search for Au7-clusters on
the Cu(111) surface.</p>
<p>In this search we will utilize an <code class="xref py py-class docutils literal notranslate"><span class="pre">OperationConstraint</span></code>
to constraint the <code class="xref py py-class docutils literal notranslate"><span class="pre">RattleMutation</span></code> to only rattle the
atoms within a certain box in space that we define.</p>
</div>


           </div>
           
          </div>
          <footer>
  

  <hr/>

  <div role="contentinfo">
    <p>
        &copy; Copyright 2020, Malthe Kjær Bisbo, Bjørk Hammer

    </p>
  </div>
  Built with <a href="http://sphinx-doc.org/">Sphinx</a> using a <a href="https://github.com/rtfd/sphinx_rtd_theme">theme</a> provided by <a href="https://readthedocs.org">Read the Docs</a>. 

</footer>

        </div>
      </div>

    </section>

  </div>
  


  <script type="text/javascript">
      jQuery(function () {
          SphinxRtdTheme.Navigation.enable(true);
      });
  </script>

  
  
    
   

</body>
</html>