[Pw_forum] libxc with QE

[Éric Germaneau]

Gong,

As the message clearly says you need Libxc to be installed.
If you had googled it you would have found the following link:

    http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

                          Éric.

On 04/02/2015 07:32 PM, plgong wrote:
> Dear professor,
>     Recenetly, I found that tb09 (meta-GGA) can ue used in the version of QE 5.1.2, but when I run an
> example, it reported that,
> "    Error in routine tb09 (1):
>       need libxc
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>       stopping ...
>
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine tb09 (1):
>       need libxc
> "
> I have used "input_dft='tb09' in my inputfile.
>
> I have no idea about libxc, Do I need to install it? How can I do?
> pPlease help me at a time most convenient to you.
>
> Best wishes
>
> P. L. Gong
>
> Addr: Institute of Solid State Physics, Chinese Academy of
> Sciences, Hefei, Anhui 230031, China
>
>
> --
>
> ====================================================
> Addr: Institute of Solid State Physics, Chinese Academy of
> Sciences, Hefei, Anhui 230031, China
> Tel: +86-551-65591591(office), 18756086113(cell phone)
> Email: plgong at theory.issp.ac.cn
> ========================================================================
>
>
>
>
>
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-- 
Éric Germaneau (艾海克), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
M:germaneau at sjtu.edu.cn P:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn
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