[Pw_forum] tb09 functional with libxc

Xiaoming Wang xw213 at rci.rutgers.edu
Tue Apr 12 15:32:37 CEST 2016


Thanks so much!  It works now.

Best,
Xiaoming
Postdoc
Rutgers University

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Lorenzo Paulatto
Sent: Tuesday, April 12, 2016 4:05 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] tb09 functional with libxc

On Monday, 11 April 2016 18:07:48 CEST Xiaoming Wang wrote:
> DFLAGS         =  -D_LIBXC -D__INTEL -D__FFTW3 -D__MPI -D__PARA

I think you need two underscores before LIBXC in DFLAGS, i.e.
DFLAGS         =  -D__LIBXC -D__INTEL -D__FFTW3 -D__MPI -D__PARA

(spot the difference!)


hth
-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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