[Wien] SCAN meta-GGA+ DFT-D

[Osama Yassin]

Thank you

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________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of tran at theochem.tuwien.ac.at <tran at theochem.tuwien.ac.at>
Sent: Tuesday, December 26, 2017 11:17:25 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] SCAN meta-GGA+ DFT-D

Hi,

SCAN and D3 were combined here
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.94.115144

To use this method, you need to specify parameters in a file
8.dftd3par.hostname). More details are in Sec. 7.2 of the user's guide.

FT


On Tuesday 2017-12-26 17:57, Osama Yassin wrote:

>Date: Tue, 26 Dec 2017 17:57:57
>From: Osama Yassin <oayassin63 at outlook.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] SCAN meta-GGA+ DFT-D
>
>
>Hello
>
>
>Is the the SCAN and/or revTPSS meta-GGA functionals compatible with DFT-D?..
>
>
>Sent from Outlook
>
>
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