[CP2K-user] [CP2K:13585] how to use a long range corrected functional that is not a hybrid functional?

[Mohammad Shakiba]

Thank you so much for your reply. 

Is it for orbital eigenvalue correction? and can we use that in version 6?

Thanks again.

On Monday, July 6, 2020 at 12:42:21 PM UTC+4:30, jgh wrote:
>
> Hi 
>
> hybrid functional can be used in the latest version of the code. 
> Non-hybrids with "long ranged" correction are available. 
> See the "SAOP" keyword in the input. For examples have a look 
> in the tests/QS directories. 
> The PBE_HOLE_TC_LR functional is not related with this. 
>
> regards 
>
> Juerg Hutter 
> -------------------------------------------------------------- 
> Juerg Hutter                         Phone : ++41 44 635 4491 
> Institut für Chemie C                FAX   : ++41 44 635 6838 
> Universität Zürich                   E-mail: h... at chem.uzh.ch 
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> --------------------------------------------------------------- 
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> -----c... at googlegroups.com <javascript:> wrote: ----- 
> To: "cp2k" <c... at googlegroups.com <javascript:>> 
> From: "Mohammad Shakiba" 
> Sent by: c... at googlegroups.com <javascript:> 
> Date: 07/03/2020 08:34AM 
> Subject: [CP2K:13585] how to use a long range corrected functional that is 
> not a hybrid functional? 
>
> Hello,I was wondering if it is possible to use a long range corrected 
> functional in cp2k that is not a hybrid functional. I see there is a 
> functional option PBE_HOLE_TC_LR. My questions are: is this a hybrid 
> functional? And can it be used with TD-DFPT calculations? Also, can hybrid 
> functionals be used with TD-DFPT in cp2k? 
>
> Please let me know which LR functionals are available to be used with 
> TD-DFPT in cp2k. Also, is it possible to provide a sample input for such? 
>
> Thank you so much for your time and energy.   
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