[MAP Logo]

Materials Algorithms Project
Program Library

Subroutine MAP_CRYSTAL_VOL

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.
Keywords.
Download source code.
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.

Top | Next

Purpose

To calculate the unit cell volume from the metric tensor.

Top | Next | Prev

Specification

Language:	FORTRAN
Product form:	Source code

SUBROUTINE MAP_CRYSTAL_VOL(G, DEL)

REAL G(9), DEL

Top | Next | Prev

Description

MAP_CRYSTAL_VOL calculates the unit cell volume (in cubic Ångstroms) from the metric tensor. The unit cell volume is the square root of the determinant of the metric tensor.

Top | Next | Prev

References

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

Top | Next | Prev

Parameters

Input parameters

G - real array of dimension 9: G is the metric tensor.

Output parameters

DEL - real: DEL is the unit cell volume (in cubic Ångstroms).

Top | Next | Prev

Error Indicators

None.

Top | Next | Prev

Accuracy

No information supplied.

Top | Next | Prev

Further Comments

None.

Top | Next | Prev

Example

The example program finds the unit cell volume for a cubic lattice.

1. Program text

       REAL G(9), DEL, AP
       READ (5,*) AP
       CALL MAP_CRYSTAL_MET1(G, AP)
       CALL MAP_CRYSTAL_VOL(G, DEL)
       WRITE (6,*) DEL
       STOP
       END