QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: anshul34 on August 8, 2012, 08:58

Title: GPAW
Post by: anshul34 on August 8, 2012, 08:58

Hi QuantumWise,

GPAW installation is needed for optical properties?

Please reply me asap

thanks & warms regards
Anshul Sikarwar
[email protected]

Title: Re: GPAW
Post by: Anders Blom 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.