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Author Topic: how can we determine polarization?  (Read 3885 times)

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Offline rmbarki

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how can we determine polarization?
« on: April 5, 2011, 22:28 »
Hello,
I was checking the forum to find a way to determine the polarization of piezoelectric material but didnt find it, so is there anyone who knows how to do it.

Thanks

Raouf Mbarki
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Offline Anders Blom

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Re: how can we determine polarization?
« Reply #1 on: April 6, 2011, 10:05 »
Berry phase calculations are not yet implemented in ATK, I'm afraid.
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Offline zh

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Re: how can we determine polarization?
« Reply #2 on: April 8, 2011, 13:16 »
The polarization of piezoelectric materials can be calculated using other free codes such Quantum-espresso and ABINIT, in which the linear response method (or perturbation density functional theory) is implemented.  You can check the manual of these two codes.
« Last Edit: April 8, 2011, 13:19 by zh »
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