Last change
on this file since 116 was
22,
checked in by mmc, 19 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
|
Rev | Line | |
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[6] | 1 | <?xml version="1.0"?> |
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| 2 | <library> |
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| 3 | <parameters> |
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[9] | 4 | <group id="ambient"> |
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| 5 | <number id="temperature"> |
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[6] | 6 | <label>Ambient temperature</label> |
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| 7 | <units>K</units> |
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| 8 | <min>0</min> |
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| 9 | <max>500K</max> |
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| 10 | <default>300K</default> |
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| 11 | <preset> |
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| 12 | <value>300K</value> |
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| 13 | <label>300K (room temperature)</label> |
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| 14 | </preset> |
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| 15 | <preset> |
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| 16 | <value>77K</value> |
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| 17 | <label>77K (liquid nitrogen)</label> |
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| 18 | </preset> |
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| 19 | <preset> |
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| 20 | <value>4.2K</value> |
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| 21 | <label>4.2K (liquid helium)</label> |
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| 22 | </preset> |
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| 23 | <preset> |
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| 24 | <value>0K</value> |
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| 25 | <label>0 (absolute zero)</label> |
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| 26 | </preset> |
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| 27 | </number> |
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| 28 | </group> |
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| 29 | </parameters> |
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[7] | 30 | <elements> |
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| 31 | <atom id="H"> |
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| 32 | <color>white</color> |
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| 33 | <scale>0.7</scale> |
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| 34 | </atom> |
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| 35 | <atom id="C"> |
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| 36 | <color>green</color> |
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| 37 | <scale>1.0</scale> |
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| 38 | </atom> |
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| 39 | <atom id="O"> |
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| 40 | <color>red</color> |
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| 41 | <scale>1.0</scale> |
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| 42 | </atom> |
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| 43 | <atom id="N"> |
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| 44 | <color>blue</color> |
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| 45 | <scale>1.0</scale> |
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| 46 | </atom> |
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| 47 | <atom id="S"> |
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| 48 | <color>yellow</color> |
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| 49 | <scale>1.0</scale> |
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| 50 | </atom> |
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[22] | 51 | <atom id="Au"> |
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| 52 | <color>#cccc00</color> |
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| 53 | <scale>1.5</scale> |
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| 54 | </atom> |
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| 55 | <atom id="AU"> |
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| 56 | <color>#cccc00</color> |
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| 57 | <scale>1.5</scale> |
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| 58 | </atom> |
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[7] | 59 | </elements> |
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[6] | 60 | <materials> |
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[9] | 61 | <material id="GaAs"> |
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[6] | 62 | <formula>GaAs</formula> |
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| 63 | <bandgap>1.422eV</bandgap> |
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| 64 | <color>#ccccff</color> |
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| 65 | <electronAffinity>4.070eV</electronAffinity> |
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| 66 | <dielectricConstant>12.847</dielectricConstant> |
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| 67 | <NcEffDensityOfStates>0.462e18/cm3</NcEffDensityOfStates> |
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| 68 | <NvEffDensityOfStates>0.942e19/cm3</NvEffDensityOfStates> |
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| 69 | </material> |
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[9] | 70 | <material id="Al(0.3)Ga(0.7)As"> |
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[6] | 71 | <formula>Al(0.3)Ga(0.7)As</formula> |
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| 72 | <color>#9999ff</color> |
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| 73 | <bandgap>1.797eV</bandgap> |
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| 74 | <electronAffinity>3.827eV</electronAffinity> |
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| 75 | <dielectricConstant>11.9</dielectricConstant> |
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| 76 | <NcEffDensityOfStates>0.857e18/cm3</NcEffDensityOfStates> |
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| 77 | <NvEffDensityOfStates>0.111e20/cm3</NvEffDensityOfStates> |
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| 78 | </material> |
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[9] | 79 | <material id="Au"> |
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[6] | 80 | <formula>Au</formula> |
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| 81 | <color>#ffff66</color> |
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| 82 | </material> |
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| 83 | </materials> |
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| 84 | </library> |
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