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Subroutine MAP_UTIL_CROSS

Provenance of code.
Purpose of code.
Specification.
Description of subroutine's operation.
References.
Parameter descriptions.
Error indicators.
Accuracy estimate.
Any additional information.
Example of code
Auxiliary subroutines required.
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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

Takes a vector cross product and converts all vectors to real space.

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Specification

Language:	FORTRAN
Product form:	Source code

SUBROUTINE MAP_UTIL_CROSS(H1,K1,L1,JR1,H2,K2,L2,JR2,H3,K3,L3,JR3,F,G)

REAL H1,K1,L1,H2,K2,L2,H3,K3,L3

INTEGER JR1,JR2,JR3

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MAP_UTIL_CROSS takes the vector cross product of the three-dimensional vectors [H1,K1,L1] and [H2,K2,L2], to generate the vector [H3,K3,L3]. If the original vectors are in reciprocal space they are converted to real space.

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References

H.K.D.H. Bhadeshia, Worked Examples in the Geometry of Crystals, Institute of Materials, London, 1987.

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Parameters

Input parameters

H1,K1,L1 - reals: H1,K1,L1 are the components of the first vector used in the cross product. They may be either in real or reciprocal space.
JR1 - integer: JR1 is 0 if [H1,K1,L1] is in real space, 1 if [H1,K1,L1] is in reciprocal space. JR1 is set to 0 on exit from the routine, as all vectors are then in real space co-ordinates.
H2,K2,L2 - reals: H2,K2,L2 ate the components of the second vector used in the cross product. They may be either in real or reciprocal space.
JR2 - integer: JR2 is 0 if [H2,K2,L2] is in real space, 1 if [H2,K2,L2] is in reciprocal space. JR2 is set to 0 on exit from the routine, as all vectors are then in real space co-ordinates.
F - real array of dimension 9: F is the metric tensor converting components from reciprocal to real space.
G - real array of dimension 9: G is the metric tensor converting components from real to reciprocal space.

Output parameters

H3,K3,L3 - real: H3,K3,L3 are the components of the vector resulting from the cross product. They are in real space co-ordinates.
JR3 - integer: JR3 is set to zero, to indicate that [H3,K3,L3] is in real space co-ordinates.

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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 H1,K1,L1,H2,K2,L2,H3,K3,L3,F(9),G(9),AP
       INTEGER JR1,JR2,JR3
       READ (5,*) H1,K1,L1,JR1 
       READ (5,*) H2,K2,L2,JR2
       READ (5,*) AP
       CALL MAP_CRYSTAL_TENSOR1(F,G,AP)
       CALL MAP_UTIL_CROSS(H1,K1,L1,JR1,H2,K2,L2,JR2,H3,K3,L3,JR3,F,G)
       WRITE (6,*) H3,K3,L3
       STOP
       END