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Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Strukturforschung / Elektronenmikroskopie

Constructing Supercells

The program gbmaker can be used to construct supercells containing arbitrarily many crystalline and amorphous convex grains bound by arbitrarily many facets. Below you will find a few example structures that have been generated by gbmaker. The program gbmaker is part of the freely downloadable simulation software package QSTEM.

Please note that gbmaker is a command line program.  It requires an Input file the format of which can be constructed from the examples given below.  Further examples can be found in the examples Folder that comes with the QSTEM Installation.  If .gbm files are associated with gbmaker, as is done during the automated installation of qstem, gbmaker will automatically be run when double clicking any .gbmfile.  However, potential error Messages may disappear too quick to read in that case.

A facted gold particle on top of an alumina substrate covered with anorthite glass. Input file used to generate this structure: Au_Al2O3.gbm.

 


A facted hole in a slab of slilicon. Input file used to generate this structure: Si_hole.gbm.