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/[conograph]/BLDConograph_ver1/trunk/sample/sample5(Hexagonal;23.1,23.1,10.7,90,90,120)/output/M402-pf-119673.out.xml

Diff of /BLDConograph_ver1/trunk/sample/sample5(Hexagonal;23.1,23.1,10.7,90,90,120)/output/M402-pf-119673.out.xml

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revision 31 by rtomiyasu, Mon Feb 17 01:11:58 2014 UTC revision 32 by rtomiyasu, Sat Aug 6 01:34:09 2016 UTC
# Line 6  Line 6 
6               Trace((S-T)^2) := \sum_{1 <= i,j <= 3} (sij-tij)^2               Trace((S-T)^2) := \sum_{1 <= i,j <= 3} (sij-tij)^2
7          using the Delone-reduced metric tensors S := (sij) and T := (tij) of their reciprocal lattices.)          using the Delone-reduced metric tensors S := (sij) and T := (tij) of their reciprocal lattices.)
8    
9     BravaisLattice  NumberOfSolusions  DistanceFromInputUnitCell : unit-cell parameters.     CentringType  NumberOfSolusions  DistanceFromInputUnitCell : unit-cell parameters.
10            Cubic(F)    0            Cubic(F)    0
11            Cubic(I)    0            Cubic(I)    0
12            Cubic(P)    0            Cubic(P)    0
13           Hexagonal    1   8.8664e-005 :    2.3085e+001   2.3085e+001   1.0653e+001   9.0000e+001   9.0000e+001   1.2000e+002           Hexagonal    1   9.8254e-002 :    2.3085e+001   2.3085e+001   1.0653e+001   9.0000e+001   9.0000e+001   1.2000e+002
14        Rhombohedral    0        Rhombohedral    0
15       Tetragonal(I)    0       Tetragonal(I)    0
16       Tetragonal(P)    0       Tetragonal(P)    0
17     Orthorhombic(F)    0     Orthorhombic(F)    0
18     Orthorhombic(I)    0     Orthorhombic(I)    0
19     Orthorhombic(C)    3   8.2498e-005 :    2.3156e+001   3.9623e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001     Orthorhombic(C)    3   9.0828e-003 :    2.3156e+001   3.9623e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001
20     Orthorhombic(P)    0     Orthorhombic(P)    0
21       Monoclinic(B)    6   4.0071e-005 :    3.9628e+001   2.3156e+001   1.0654e+001   9.0000e+001   9.0872e+001   9.0000e+001       Monoclinic(B)    6   6.3302e-003 :    3.9628e+001   2.3156e+001   1.0654e+001   9.0000e+001   9.0872e+001   9.0000e+001
22       Monoclinic(P)    1   8.0757e-005 :    2.2892e+001   1.0653e+001   2.3002e+001   9.0000e+001   1.1939e+002   9.0000e+001       Monoclinic(P)    1   9.8254e-002 :    2.2892e+001   1.0653e+001   2.3002e+001   9.0000e+001   1.1939e+002   9.0000e+001
23    
24    -->    -->
25    
# Line 38  Line 38 
38    
39    <!-- Candidates for Hexagonal -->    <!-- Candidates for Hexagonal -->
40    
41    <UnitCellCandidate number="1101">    <UnitCellCandidate number="1102">
42     <CrystalSystem>        Hexagonal </CrystalSystem>     <CrystalSystem>        Hexagonal </CrystalSystem>
43    
44     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
45     <UnitCellParameters>   2.3085e+001   2.3085e+001   1.0653e+001   9.0000e+001   9.0000e+001   1.2000e+002 </UnitCellParameters>     <UnitCellParameters>   2.3085e+001   2.3085e+001   1.0653e+001   9.0000e+001   9.0000e+001   1.2000e+002 </UnitCellParameters>
46     <DistanceFromInputUnitCell>   8.8664e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.8254e-002 </DistanceFromInputUnitCell>
47    </UnitCellCandidate>    </UnitCellCandidate>
48    
49    
# Line 70  Line 70 
70    
71    <!-- Candidates for Orthorhombic(C) -->    <!-- Candidates for Orthorhombic(C) -->
72    
73    <UnitCellCandidate number="0501">    <UnitCellCandidate number="0504">
74     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>
75    
76     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
77     <UnitCellParameters>   2.3156e+001   3.9623e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.3156e+001   3.9623e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
78     <DistanceFromInputUnitCell>   8.2498e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.0828e-003 </DistanceFromInputUnitCell>
79    </UnitCellCandidate>    </UnitCellCandidate>
80    
81    <UnitCellCandidate number="0503">    <UnitCellCandidate number="0504">
82     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>
83    
84     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
85     <UnitCellParameters>   2.2892e+001   4.0081e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.2892e+001   4.0081e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
86     <DistanceFromInputUnitCell>   8.5964e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.2717e-003 </DistanceFromInputUnitCell>
87    </UnitCellCandidate>    </UnitCellCandidate>
88    
89    <UnitCellCandidate number="0502">    <UnitCellCandidate number="0504">
90     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>     <CrystalSystem>  Orthorhombic(C) </CrystalSystem>
91    
92     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
93     <UnitCellParameters>   2.3000e+001   3.9890e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.3000e+001   3.9890e+001   1.0653e+001   9.0000e+001   9.0000e+001   9.0000e+001 </UnitCellParameters>
94     <DistanceFromInputUnitCell>   9.5042e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.7489e-003 </DistanceFromInputUnitCell>
95    </UnitCellCandidate>    </UnitCellCandidate>
96    
97    
# Line 102  Line 102 
102    
103    <!-- Candidates for Monoclinic(B) -->    <!-- Candidates for Monoclinic(B) -->
104    
105    <UnitCellCandidate number="0301">    <UnitCellCandidate number="0307">
106     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
107    
108     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
109     <UnitCellParameters>   3.9628e+001   2.3156e+001   1.0654e+001   9.0000e+001   9.0872e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   3.9628e+001   2.3156e+001   1.0654e+001   9.0000e+001   9.0872e+001   9.0000e+001 </UnitCellParameters>
110     <DistanceFromInputUnitCell>   4.0071e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   6.3302e-003 </DistanceFromInputUnitCell>
111    </UnitCellCandidate>    </UnitCellCandidate>
112    
113    <UnitCellCandidate number="0305">    <UnitCellCandidate number="0307">
114     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
115    
116     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
117     <UnitCellParameters>   2.2894e+001   4.0081e+001   1.0654e+001   9.0000e+001   9.0883e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.2894e+001   4.0081e+001   1.0654e+001   9.0000e+001   9.0883e+001   9.0000e+001 </UnitCellParameters>
118     <DistanceFromInputUnitCell>   4.0834e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   6.3901e-003 </DistanceFromInputUnitCell>
119    </UnitCellCandidate>    </UnitCellCandidate>
120    
121    <UnitCellCandidate number="0303">    <UnitCellCandidate number="0307">
122     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
123    
124     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
125     <UnitCellParameters>   2.3001e+001   3.9890e+001   1.0653e+001   9.0000e+001   9.0632e+001   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.3001e+001   3.9890e+001   1.0653e+001   9.0000e+001   9.0632e+001   9.0000e+001 </UnitCellParameters>
126     <DistanceFromInputUnitCell>   9.9318e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.9659e-003 </DistanceFromInputUnitCell>
127    </UnitCellCandidate>    </UnitCellCandidate>
128    
129    <UnitCellCandidate number="0302">    <UnitCellCandidate number="0307">
130     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
131    
132     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
133     <UnitCellParameters>   2.5327e+001   3.9623e+001   1.0327e+001   9.0000e+001   1.1390e+002   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.5327e+001   3.9623e+001   1.0327e+001   9.0000e+001   1.1390e+002   9.0000e+001 </UnitCellParameters>
134     <DistanceFromInputUnitCell>   1.6997e-003 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   4.1228e-002 </DistanceFromInputUnitCell>
135    </UnitCellCandidate>    </UnitCellCandidate>
136    
137    <UnitCellCandidate number="0304">    <UnitCellCandidate number="0307">
138     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
139    
140     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
141     <UnitCellParameters>   2.5142e+001   3.9890e+001   1.0322e+001   9.0000e+001   1.1382e+002   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.5142e+001   3.9890e+001   1.0322e+001   9.0000e+001   1.1382e+002   9.0000e+001 </UnitCellParameters>
142     <DistanceFromInputUnitCell>   2.2583e-003 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   4.7522e-002 </DistanceFromInputUnitCell>
143    </UnitCellCandidate>    </UnitCellCandidate>
144    
145    <UnitCellCandidate number="0306">    <UnitCellCandidate number="0307">
146     <CrystalSystem>    Monoclinic(B) </CrystalSystem>     <CrystalSystem>    Monoclinic(B) </CrystalSystem>
147    
148     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
149     <UnitCellParameters>   2.4985e+001   4.0081e+001   1.0306e+001   9.0000e+001   1.1362e+002   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.4985e+001   4.0081e+001   1.0306e+001   9.0000e+001   1.1362e+002   9.0000e+001 </UnitCellParameters>
150     <DistanceFromInputUnitCell>   2.3004e-003 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   4.7963e-002 </DistanceFromInputUnitCell>
151    </UnitCellCandidate>    </UnitCellCandidate>
152    
153    
154    
155    <!-- Candidates for Monoclinic(P) -->    <!-- Candidates for Monoclinic(P) -->
156    
157    <UnitCellCandidate number="0201">    <UnitCellCandidate number="0202">
158     <CrystalSystem>    Monoclinic(P) </CrystalSystem>     <CrystalSystem>    Monoclinic(P) </CrystalSystem>
159    
160     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->     <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
161     <UnitCellParameters>   2.2892e+001   1.0653e+001   2.3002e+001   9.0000e+001   1.1939e+002   9.0000e+001 </UnitCellParameters>     <UnitCellParameters>   2.2892e+001   1.0653e+001   2.3002e+001   9.0000e+001   1.1939e+002   9.0000e+001 </UnitCellParameters>
162     <DistanceFromInputUnitCell>   8.0757e-005 </DistanceFromInputUnitCell>     <DistanceFromInputUnitCell>   9.8254e-002 </DistanceFromInputUnitCell>
163    </UnitCellCandidate>    </UnitCellCandidate>
164    
165    
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