File: modify_volume.html

package info (click to toggle)
gamgi 0.17.5-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 21,236 kB
  • sloc: ansic: 166,847; xml: 116,171; makefile: 565; sh: 5
file content (101 lines) | stat: -rw-r--r-- 3,822 bytes parent folder | download | duplicates (4)
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
<?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><span>Volume</span></li>
<li><a href="modify_position.html">Position</a></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 the volume representation 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>Type</h3>

Lattices can be represented using <b>Conventional</b>, <b>Primitive</b> 
or <b>Wigner-Seitz</b> cells, plus filtering volumes such as a 
<b>Parallelepiped</b> or a <b>Sphere</b>. Lattices can also be represented 
by the stereographic <b>Projection</b> of its crystallographic planes 
and directions (added by users, after the projection is created).

<p/>

Cells with a <b>Hexagonal</b> system and a rhombohedral <b>R</b> lattice
(corresponding to the seven R space groups when using the standard Hermann-Mauguin
symbols), are always represented using the hexagonal axes and the obverse setting,
when the chosen type is <b>Conventional</b>, and the rombohedral axes, when the
chosen type is <b>Primitive</b>. Cells with a <b>Hexagonal</b> system and a
primitive <b>P</b> lattice (corresponding to all the other space groups from 143
to 194 that are not R) are always represented using full hexagonal prismas, when
the chosen type is <b>Conventional</b>, and one-third of the hexagonal prismas,
when the chosen type is <b>Primitive</b>.

<h3>N1, N2, N3</h3>

Change the number of cells to replicate, in the three directions of space, 
when the chosen type is <b>Conventional</b>, <b>Primitive</b> 
or <b>Wigner-Seitz</b>. When not needed, these parameters are disabled.

<h3>V1, V2, V3, V23, V13, V12</h3>

A <b>Parallelepiped</b> filtering volume is defined by three edge 
lengths, <b>V1</b>, <b>V2</b>, <b>V3</b>, plus the three angles between 
them, <b>V23</b>, <b>V13</b>, <b>V12</b>. Each angle must be smaller 
than the sum of the other two and must be larger than the absolute 
difference of the other two, otherwise an error is produced.

<p/>

A <b>Sphere</b> filtering volume is defined by the radius <b>v1</b>.
When not needed, these parameters are disabled.

<p/>

All nodes inside the volume representation are allocated (even if the
user choosed to hide them). In <b>Parallelepiped</b> and <b>Sphere</b> 
volumes, a small tolerance (by default 1.0E-4) is added around the volume 
space to make sure that nodes in the borders are included. For example, 
a sphere with <b>v1</b> = <b>1.0</b>, filtering a cubic primitive lattice 
with <b>a</b> = <b>1.0</b>, allocates 1 + 2 + 2 + 2 = 7 nodes (without 
the tolerance, the result could be undefined).

</div>

<div id="bottom">
<a href="../../index.shtml">Home</a>
</div>

</body>
</html>