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Subroutine MAP_CRYSTAL_MET4

  1. Provenance of code.
  2. Purpose of code.
  3. Specification.
  4. Description of subroutine's operation.
  5. References.
  6. Parameter descriptions.
  7. Error indicators.
  8. Accuracy estimate.
  9. Any additional information.
  10. Example of code
  11. Auxiliary subroutines required.
  12. Keywords.
  13. Download source code.
  14. Links.

Provenance of Source Code

H.K.D.H. Bhadeshia,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.

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Purpose

Calculates the metric tensor for a hexagonal or trigonal crystal structure.

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Specification

Language:FORTRAN
Product form:Source code

SUBROUTINE MAP_CRYSTAL_MET4(G, AP, CP)

REAL G(9), AP, CP

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Description

The tensor is stored in a nine element array. The first and fifth elements are set to AP2, the second and fourth to -AP2/2, the ninth to CP2, and the rest to zero.

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References

  1. Microstructural Characterisation of High Temperature Materials, ed. E. Metcalfe, Institute of Metals, London, 1988, (page 33, Table 3).

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Parameters

Input parameters

AP, CP - reals
AP and CP are the lattice parameters for the hexagonal or trigonal system.

Output parameters

G - real array of dimension 9
G contains the metric tensor.

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Error Indicators

None.

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Accuracy

No information supplied.

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Further Comments

None.

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Example

1. Program text

       REAL G(9), AP, CP
       INTEGER I
       READ (5,*) AP, CP
       CALL MAP_CRYSTAL_MET4(G, AP, CP)
       WRITE (6,1) (G(I), I=1,9)
1      FORMAT (5X, 3F8.4)
       STOP
       END

2. Program data

1.0   3.0

3. Program results

 1.0000  -0.5000   0.0000
-0.5000   1.0000   0.0000
 0.0000   0.0000   9.0000

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Auxiliary Routines

None.

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Keywords

hexagonal, triclinic, metric tensor

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Download

Download source code

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