On Aug 11, 2012, at 7:47 AM, Alex Mariani wrote:
>
>
>
> Dear all
> I want to calculate the piezoelectric constant for PbTio3.
> How do using the QE code?
> What is the procedure?
Simple solution: Perform a set of finite-field calculations and plot the stress
as a function of the applied elec
Dear Alex:
I think you can try Berry Phase implemented in the program pw.x.
Reference:
David Vanderbilt, Berry-phase theory of proper piezoelectric response, J. Phys.
Chem. Solids, 61 (2000), 147
--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Kor
Dear all
I want to calculate the piezoelectric constant for PbTio3.
How do using the QE code?
What is the procedure?
Please help me?
best regards
Alex Mariani
Magadh University
Department of Physics
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