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Author Topic: Adding DFT-D2 in planewave calculators  (Read 2043 times)

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Offline hsuya

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Adding DFT-D2 in planewave calculators
« on: August 9, 2020, 01:36 »
Hello I want to use incorporate van-der-waals correction (grimme-dft d2) in my gas adsorption studies by that option isn't coming when I am using planewave calculator. I have attached screenshot of the calculators. It is showing in case of using LCAO calculators.
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Offline Petr Khomyakov

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Re: Adding DFT-D2 in planewave calculators
« Reply #1 on: August 10, 2020, 13:51 »
This feature for using Grimme's correction in the PW calculator will become available in the coming release of QuantumATK.
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