source: trunk/lib/library.xml @ 22

Last change on this file since 22 was 22, checked in by mmc, 15 years ago

Lots of changes to support Huckel-IV:

  • Support for embedded <tool> declarations
  • New <integer> entry
  • Support for numbers and structures as output elements
  • Atom numbers/symbols in MoleculeViewer?
File size: 2.0 KB
Line 
1<?xml version="1.0"?>
2<library>
3<parameters>
4  <group id="ambient">
5    <number id="temperature">
6      <label>Ambient temperature</label>
7      <units>K</units>
8      <min>0</min>
9      <max>500K</max>
10      <default>300K</default>
11      <preset>
12        <value>300K</value>
13        <label>300K (room temperature)</label>
14      </preset>
15      <preset>
16        <value>77K</value>
17        <label>77K (liquid nitrogen)</label>
18      </preset>
19      <preset>
20        <value>4.2K</value>
21        <label>4.2K (liquid helium)</label>
22      </preset>
23      <preset>
24        <value>0K</value>
25        <label>0 (absolute zero)</label>
26      </preset>
27    </number>
28  </group>
29</parameters>
30<elements>
31  <atom id="H">
32    <color>white</color>
33    <scale>0.7</scale>
34  </atom>
35  <atom id="C">
36    <color>green</color>
37    <scale>1.0</scale>
38  </atom>
39  <atom id="O">
40    <color>red</color>
41    <scale>1.0</scale>
42  </atom>
43  <atom id="N">
44    <color>blue</color>
45    <scale>1.0</scale>
46  </atom>
47  <atom id="S">
48    <color>yellow</color>
49    <scale>1.0</scale>
50  </atom>
51  <atom id="Au">
52    <color>#cccc00</color>
53    <scale>1.5</scale>
54  </atom>
55  <atom id="AU">
56    <color>#cccc00</color>
57    <scale>1.5</scale>
58  </atom>
59</elements>
60<materials>
61  <material id="GaAs">
62    <formula>GaAs</formula>
63    <bandgap>1.422eV</bandgap>
64    <color>#ccccff</color>
65    <electronAffinity>4.070eV</electronAffinity>
66    <dielectricConstant>12.847</dielectricConstant>
67    <NcEffDensityOfStates>0.462e18/cm3</NcEffDensityOfStates>
68    <NvEffDensityOfStates>0.942e19/cm3</NvEffDensityOfStates>
69  </material>
70  <material id="Al(0.3)Ga(0.7)As">
71    <formula>Al(0.3)Ga(0.7)As</formula>
72    <color>#9999ff</color>
73    <bandgap>1.797eV</bandgap>
74    <electronAffinity>3.827eV</electronAffinity>
75    <dielectricConstant>11.9</dielectricConstant>
76    <NcEffDensityOfStates>0.857e18/cm3</NcEffDensityOfStates>
77    <NvEffDensityOfStates>0.111e20/cm3</NvEffDensityOfStates>
78  </material>
79  <material id="Au">
80    <formula>Au</formula>
81    <color>#ffff66</color>
82  </material>
83</materials>
84</library>
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