[QE-users] use of range-separated CAM-QTP-01 functional

[Paolo Giannozzi]

It's not easy right now. It will be easier hopefully soon.

Paolo

On Wed, May 1, 2019 at 6:38 PM Zack Windom <zww4855 at gmail.com> wrote:

> Hi all,
>
> I have recently compiled quantum espresso (6.4) and linked it with Libxc
> (4.3.4). I am trying to use the range separated CAM-QTP-01 functional
> (which is essentially a reparameterized version of CAM-B3LYP --- a
> functional that works when I run test calculations) for band structure and
> density of states calculation. However, I get an error message
> "unrecognized dft" when I try to use apply this functional. Can someone
> lend me advice regarding the use of this functional, which is defined in
> Libxc 4.3.4 under "xc_funcs.h" header file?
>
> thanks,
> Zack
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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