Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] abzl_v1_0.gz(48 Kbytes)|
|Manuscript Title: HABIT: a program for predicting the morphology of molecular crystals.|
|Authors: G. Clydesdale, R. Docherty, K.J. Roberts|
|Program title: HABIT|
|Catalogue identifier: ABZL_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 64(1991)311|
|Programming language: Fortran.|
|Computer: VAX 11/782, VAX 6330.|
|Operating system: VAX/VMS.|
|Peripherals: disc, graph plotter.|
|Keywords: Crystallography, Morphology, Crystal shape, Faces, Relative growth rates And attachment energies.|
Nature of problem:
The relationship between the internal arrangement of a crystal and its external appearance.
HABIT calculates the "attachment energy" which is the energy released on the attachment of a growth layer to the surface of a growing crystal.
The program only deals with molecular crystals and requires that parameters to describe atom-atom interactions are available (usually from the literature). However, the program comes with a number of common parameter sets installed.
The amount of time required depends upon the nature of the material being studied.
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