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Subroutine MAP_CRYSTAL_NOTAT2

  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

To convert from three index notation to four index notation for a hexagonal lattice.

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Specification

Language:FORTRAN
Product form:Source code

SUBROUTINE MAP_CRYSTAL_NOTAT2(U, V, W, JR2, U1, U2, U3, U4)

REAL U, V, W, U1, U2, U3, U4

INTEGER JR2

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Description

MAP_CRYSTAL_NOTAT2 converts from three index notation to four index notation for the hexagonal lattice system. If the components in three index notation are U,V,W, then the components in four index notation are given by:-

U1 = (2U - V)/3, U2 = (2V - U)/3, U3 = W, U4 = -(U + V)/3 in real space, or

U1 = U, U2 = V, U3 = W, U4 = -(U + V) in reciprocal space.

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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

U,V,W - reals
U,V,W are the components in three index notation.

JR2 - integer
JR2 = 0 if the components are in real space, JR2 = 1 if they are in reciprocal space.

Output parameters

U1,U2,U3,U4 - reals
U1,U2,U3,U4 are the components in four index notation.

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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 U, V, W, U1, U2, U3, U4
       INTEGER JR2
       READ (5,*) U, V, W
       READ (5,*) JR2
       CALL MAP_CRYSTAL_NOTAT2(U, V, W, JR2, U1, U2, U3, U4)
       WRITE (6,*) U1,U2,U3,U4
       STOP
       END

2. Program data

1.0   2.0  -1.0

3. Program results

0.0   1.0  -1.0  -1.0

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Auxiliary Routines

None.

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Keywords

four index notation, three index notation

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Download

Download source code

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