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USPEX

Visualization of the form of a crystal

This program visualizes the form of a given crystal based on surface energies calculations.

Examples:
Alpha-Boron: POSCAR | Interactive WebGL | Static image Al2O3 corundum: POSCAR | Interactive WebGL | Static image
Diamond: POSCAR | Interactive WebGL | Static image Forsterite: POSCAR | Interactive WebGL | Static image
Gamma-Boron: POSCAR | Interactive WebGL | Static image Graphite: POSCAR | Interactive WebGL | Static image
Quartz: POSCAR | Interactive WebGL | Static image

Authors: Pavel Bushlanov (main code), Maksim Rakitin (web interface + WebGL)
POSCAR/CIF:
POSCARCIF

Note: POSCAR file must have the line with elements names!
Note: CIF file must have symmetry operators, as in the provided example!

goodBonds: default: 0.05, valid values: 0.05-10



Last updated: 2015-12-28 13:36:27 -0500 (Mon, 28 Dec 2015)