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Messages - Waqas Shabbir

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General Questions and Answers / Geometrical Optimization
« on: March 27, 2017, 14:15 »
Hi,
I want to optimize a system for surface calculations. My system consist of GaN with hydrogen attached to surface.
Do i need to optimize system in different steps?
1) bulk GaN
2) surface with constraints on electrodes
3) Hydrogen attached on surface  with constraints on hydrogen


best,
Waqas

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