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
|
<?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><span>Position</span></li>
<li><a href="modify_origin.html">Origin</a></li>
<li><a href="modify_view.html">View</a></li>
</ul>
</div>
<div class="contents">
Change here position and orientation 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>Translation</h3>
The origin of a cell object, defined by its (0 0 0) node,
can be changed using the <b>X</b>, <b>Y</b>, <b>Z</b> entries.
<p/>
By default, in <b>Conventional</b>, <b>Primitive</b> and
<b>Parallelepiped</b> volumes, this node is at a corner
of the cell volume, in a <b>Sphere</b> volume it is at the
center, and in a <b>Wigner</b> volume it is at the center of
the first Wigner-Seitz cell.
<p/>
To define exactly the cell translation, relatively to other cell
or relatively to the current layer, press <a href="translation.html">
Align</a>.
<h3>Rotation</h3>
The orientation of a cell object, defined by the Euler angles theta,
phi, psi, can be changed using the <b>E1</b>, <b>E2</b>, <b>E3</b> entries.
<p/>
Euler angles in GAMGI are defined as follows: first, the (x, y, z)
referential is rotated theta degrees (between 0 and 180) around the
y axis, then the referential is rotated phi degrees (between 0 and 360)
around the initial z axis, and finally it is rotated psi degrees (between
0 and 360) around the new z axis, always in the direct, counter-clockwise,
direction. If the first Euler angle (theta) is zero, the old and new z axis
coincide, thus (0, 0, 10) and (0, 5, 5) represent the same rotation.
<p/>
By default, the first conventional vector is aligned with the x axis
(even if conventional vectors are not actually represented), the second
vector is in the xy plane and the third vector has a positive z coordinate
(pointing to the user), corresponding to Euler angles (0, 0, 0).
<p/>
The cell orientation is independent of the volume representation.
This way, conventional, primitive and Wigner-Seitz cells can be easily
compared, as they have the same orientation.
<p/>
To define exactly the cell rotation, relatively to other cell
or relatively to the current layer, press <a href="rotation.html">
Align</a>.
</div>
<div id="bottom">
<a href="../../index.shtml">Home</a>
</div>
</body>
</html>
|
