Materials Algorithms Project
Program Library

Subroutine MAP_CRYSTAL_VECMAG

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 magnitude of a vector defined in real space.

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Specification

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Description

MAP_CRYSTAL_VECMAG uses the metric tensor G to transform the real space vector [U,V,W] into the reciprocal space vector [H,K,L]. The vector magnitude is sqrt[(U*H + U*K + W*L)].

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References

1. H.K.D.H. Bhadeshia, Worked Examples in the Geometry of Crystal, Institute of Materials, London, (1987), 5-6.

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Parameters

Input parameters

G - real array of dimension 9

G is the metric tensor.

U, V, W - reals

[U,V,W] is the vector in real space coordinates.

Output parameters

M - real

M is the magnitude of the vector.

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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), U, V, W, M
       READ (5,*) (G(I), I=1,9)
       READ (5,*) U, V, W
       CALL MAP_CRYSTAL_VECMAG(G, U, V, W, M)
       WRITE (6,10) M
10     FORMAT (3X,'Magnitude is ',F8.4)
       STOP
       END

2. Program data

1.00   0.00   0.00   0.00   1.00   0.00   0.00   0.00   4.00
1.00   0.00   1.00

3. Program results

Magnitude is    2.2361

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Auxiliary Routines

Utility Subroutines:
MAP_UTIL_TRANS

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Keywords

metric tensor, vector magnitude, real space

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Download

Download source code

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