[Wien] case.struct

Michael Gurnett michael.gurnett at kau.se
Mon Sep 1 12:50:54 CEST 2003


This would be a good idea to have on the Wien2k web page. A nice
collection of different structures that people have performed calculations
on. This could be seperated into simple optimised bulk unit cells and more
complex supercells and slabs. Nice if people want to perform similar
calculations or variations on an already investigated system.

Michael Gurnett




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