Programs in Physics & Physical Chemistry
|
|
Programs in Physics & Physical Chemistry |
|
| 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. |
| Disclaimer | ScienceDirect | CPC Journal | CPC | QUB |