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
|
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Strict//EN"
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-strict.dtd">
<html xmlns="http://www.w3.org/1999/xhtml" lang="en">
<head>
<title>GAMGI Interfaces: Cell Modify</title>
<link rel="icon" type="image/png" href="../../icon/gamgi16.png"/>
<link rel="stylesheet" type="text/css" href="../../css/base.css"/>
<link rel="stylesheet" type="text/css" href="../../css/notebook.css"/>
</head>
<body>
<h1>Cell Modify</h1>
<div id="notebook">
<ul>
<li><a href="modify_symmetry.html">Symmetry</a></li>
<li><a href="modify_volume.html">Volume</a></li>
<li><a href="modify_position.html">Position</a></li>
<li><span>Origin</span></li>
<li><a href="modify_view.html">View</a></li>
</ul>
</div>
<div class="contents">
Change here axes and node (0 0 0) for a single cell or a list of cells.
<p/>
To modify an cell, click over its graphic image, or write its identification
(name and number) on the <b>Cell</b> entry. To modify a list of cells, press
the button <b>List</b> (after creating the list of cells with <b>Cell->Select</b>).
Parameters for empty entries or <b>Local</b> choices remain unchanged.
<p/>
To change an cell name write the new name in the <b>Cell</b> entry,
followed by the cell number (GAMGI needs the number to identify the cell).
To change the name for a list of cells, press <b>List</b> first
and then write the new common name in the <b>Name</b> entry.
<h3>O1, O2, O3</h3>
These entries provide the coordinates of the node in the lower-left
corner of the cell where the new origin is, calculated with conventional
or primitive cell vectors. When the lattice is primitive or vectors are
primitive, this corner node becomes the new origin node (0 0 0) and no more
coordinates are needed.
<p/>
The cell position, given by the coordinates x,y,z of the origin node,
is not affected by a change in the origin node, so the new origin node
must occupy the position kept by the previous origin node, forcing a
cell translation. The new cell origin can be outside the current cell volume.
<h3>O4</h3>
When the lattice is centered and vectors are conventional,
a fourth coordinate <b>o4</b> is needed to point the new origin
node (000) to one of the centered nodes. By default, <b>o4</b>
is <b>000</b>, so no change is introduced. When the cell lattice
is primitive <b>P</b> or the vectors defining the origin are primitive,
that is the only possible value for <b>o4</b>. For I, C, F, R centered
lattices, <b>o4</b> can also take the values:
<pre>
<b>I</b>: <b>111</b>
<b>C</b>: <b>110</b>
<b>F</b>: <b>110</b>, <b>101</b>, <b>011</b>
<b>R</b>: <b>211</b>, <b>122</b>
</pre>
corresponding to the numerators of the inner node coordinates,
(1/2 1/2 1/2) for <b>I</b> lattices, (1/2 1/2 0) for <b>C</b>
lattices, (0 1/2 1/2) (1/2 0 1/2) (1/2 1/2 0) for <b>F</b>
lattices and (1/3 2/3 2/3) (2/3 1/3 1/3) for <b>R</b> lattices.
<h3>Vectors</h3>
Indicate the type of cell vectors, <b>Conventional</b> or <b>Primitive</b>,
used to determine the node with <b>o1</b>, <b>o2</b>, <b>o3</b> coordinates,
as described above. When <b>o4</b> is not <b>000</b>, a centered cell is
involved and <b>Vectors</b> must be <b>Conventional</b>.
<h3>Axes</h3>
Controls whether cell axes are visible. Axes are positioned at node
(0 0 0), and can be represented either by conventional or by primitive
vectors. The three axes use the rgb color scheme: red for the first
axis, green for the second and blue for the third.
<h3>Vectors</h3>
Indicate the type of cell vectors to show, <b>Conventional</b>
or <b>Primitive</b>. These are totally independent of the vectors
used to indicate the node (0 0 0).
</div>
<div id="bottom">
<a href="../../index.shtml">Home</a>
</div>
</body>
</html>
|
