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Subroutine MAP_CRYSTAL_DSP

  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 obtain the spacing of planes, when the Miller indices are not those which are systematically absent.

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Specification

Language:FORTRAN
Product form:Source code

SUBROUTINE MAP_CRYSTAL_DSP(F, H, K, L, JTYPE, JLOG, AD)

REAL F(9), H, K, L, AD

INTEGER JTYPE, JLOG

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Description

MAP_CRYSTAL_DSP calculates the spacing of planes, when the Miller indices are not those which are systematically absent. There are no systematic absences for a primitive lattice (JTYPE=1). For all other lattice types, subroutine MAP_CRYSTAL_TYPE determines whether there is a systematic absence. The spacing AD is calculated only when there is no absence.

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References

  1. H.K.D.H. Bhadeshia, Worked Examples in the Geometry of Crystals, Institute of Materials, London, 1987.
  2. H.K.D.H. Bhadeshia, Chapter on crystallography in Microstructural Characterisation of High Temperature Materials, ed. E. Metcalfe, Institute of Metals, London, 1988.

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Parameters

Input parameters

F - real array of dimension 9
F is the metric tensor for converting components from reciprocal to real space.

H, K, L - real
H, K, L are the Miller indices.

JTYPE - integer
JTYPE defines the lattice type:-
JTYPE=1 is for primitive
JTYPE=2 is for body-centered cubic
JTYPE=3 is for face-centered cubic
JTYPE=4 is for A-centered
JTYPE=5 is for B-centered
JTYPE=6 is for C-centered

Output parameters

AD - real
AD is the spacing of the planes with the Miller indices (HKL).

JLOG - integer
JLOG is set to 0 if the HKL is not absent, 1 if it is.

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Error Indicators

None.

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Accuracy

No information provided.

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Further Comments

None.

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Example

1. Program text

       REAL F(9), H, K, L, AD
       INTEGER JTYPE, JLOG
       READ (5,*) (F(I), I=1,9)
       READ (5,*) H, K, L
       READ (5,*) JTYPE
       CALL MAP_CRYSTAL_DSP(F, H, K, L, JTYPE, JLOG, AD)
       WRITE (6,*) JLOG, AD
       STOP
       END

2. Program data

1.0   0.0   0.0   0.0   1.0   0.0   0.0   0.0   0.25
1.0   0.0   1.0
2

3. Program results

0   0.707107

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Auxiliary Routines

Subroutines:
MAP_CRYSTAL_TYPE

Utility Subroutines:
MAP_UTIL_TRANS
MAP_UTIL_MAG

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Keywords

spacing of planes, Miller indices

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Download

Download source code

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.

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