[MAP Logo]

Materials Algorithms Project
Program Library

Subroutine MAP_CRYSTAL_TYPE

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 check for systematic absences in various lattice types.

Top | Next | Prev

Specification

Language:	FORTRAN
Product form:	Source code

SUBROUTINE MAP_CRYSTAL_TYPE(H, K, L, JTYPE, JLOG)

REAL H, K, L

INTEGER JTYPE, JLOG

Top | Next | Prev

Description

MAP_CRYSTAL_TYPE checks the lattice planes of a crystal of a specified lattice type for systematic absences.

Top | Next | Prev

References

D. McKie and C. McKie, Essentials of Crystallography, Blackwell Scientific Publ., London, 1986, 197.

Top | Next | Prev

Parameters

Input parameters

H, K, L - reals
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

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

Top | Next | Prev

Error Indicators

None.

Top | Next | Prev

Accuracy

Ideally, H,K,L, should be integers.

Top | Next | Prev

Further Comments

None.

Top | Next | Prev

Example

1. Program text

       REAL H, K, L
       INTEGER JTYPE, JLOG
       READ (5,*) H, K, L
       READ (5,*) JTYPE
       CALL MAP_CRYSTAL_TYPE(H, K, L, JTYPE, JLOG)
       WRITE (6,*) JLOG
       STOP
       END