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About CRYSTAL Tutorial Project - Elastic and Piezoelectric Tensors
This document provides definitions and examples for calculating the elastic and piezoelectric tensors in CRYSTAL. It discusses how strain is defined, Voigt notation for tensors, symmetry considerations, calculating the tensors for ZnO as an example, and scripts for computing elastic and piezoelectric constants. The focus is on numerically evaluating energy derivatives with respect to strain to determine the independent components of the tensors for a given crystal structure like ZnO wurtzite.
Detailed Information
| Author: | ['Davey'] |
|---|---|
| Publication Year: | 2017 |
| Pages: | 25 |
| Language: | English |
| Format: | |
| Price: | FREE |
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