[Pw_forum] libxc with QE

[plgong]

Dear Eirc,
     Thanks for your quick reply. I found the link you provided, but I do not find that libxc would surport
 QE. However, I see libxc.f90 in QE5.1.2/Modules/libxc.f90. Do you know how to link the libxc to QE?
 Please 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
 



> -----原始邮件-----
> 发件人:"Éric Germaneau" <germaneau at sjtu.edu.cn>
> 发送时间:2015年4月3日 星期五
> 收件人:"PWSCF Forum" <pw_forum at pwscf.org>
> 抄送:
> 主题:Re: [Pw_forum] libxc with QE
> 
> 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.cnP:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn

--

====================================================
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
========================================================================