Author Topic: GPAW  (Read 2609 times)

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Offline anshul34

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GPAW
« on: August 8, 2012, 08:58 »
Hi QuantumWise,

GPAW installation is needed for optical properties?

Please reply me asap

thanks & warms regards
Anshul Sikarwar
anshul@ims-india.org

Offline Anders Blom

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Re: GPAW
« Reply #1 on: August 9, 2012, 05:01 »
What is the question, precisely, I got a bit confused...?

Is it: "Do we need GPAW installed to compute optical properties?" The answer would be no, you can compute optical properties with ATK.

Or: "We need GPAW to compute optical properties. How to install it?" The answer is: pls refer to the GPAW documentation, GPAW is not a code we officially support. That said, it's possible to install GPAW inside ATK, but it takes a bit of effort.