||Beta-Test of PowderCell 2.0
PowderCell 2.0 has been developed during the last year. The most important news is the implementation of full automatic refinement tools which enables the determination of various settings like the degree of preferred orientation or the refinement of lattice parameters. On the other side even this makes it possible to analyse mixtures quantitatively. So, a background polynom has been inserted to describe an experimental curve much better than before where only a constant could be defined. However, a lot of small differences or features have been inserted to simplify the use or make it more comfortable to work with it, e.g. the structure data import and input has been extended by a comment part, additional translations on all positions can be carried out but also the generated atomic positions can be displayed, but also copied to the clip board.
Currently we check the program regarding stability, structure and experimental data import and export etc. For this task we search some engaged user which are interested in to proof the new version and cooperate with us (debugging, ideas, hints ...).
If you like to take part on the test phase please send a mail to Dr. Gert Nolze who will send you the program as attached selfextracting file including all necessary data, example files etc. (about 1.5MB). A short description will support the first use of refinement in PowderCell 2.0.
© Dr. Gert Nolze &
Werner Kraus (1998)
Federal Institute for Materials Research and Testing
Unter den Eichen 87, D-12205 Berlin,