Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] adze_v1_0.tar.gz(1593 Kbytes)
Manuscript Title: Solving surface structures from normal incidence x-ray standing wave data
Authors: Mark Basham, Roger A. Bennett
Program title: NIXSW Planewave Solver
Catalogue identifier: ADZE_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 177(2007)459
Programming language: Borland C++ Builder 5.
Computer: Any Windows Compatible.
Operating system: Windows 2000 and XP.
RAM: < 10MB
Keywords: Normal incidence x-ray standing wave, Experimental Data Fitting, Genetic Algorithms, Adsorbate, Surface Structure.
PACS: 68.49.Uv, 68.43.Fg.
Classification: 7.4.

Nature of problem:
Using NIXSW experimental data to calculate atomic positions of adsorbates.

Restrictions:
Data from substrates must have cubic, tetragonal or orthorhombic crystal structures i.e. with 90° between conventional cell axes.

Running time:
Seconds-Minutes dependant on the number of plane waves and the number of atomic sites.