Warning about using LibXC

Zhendong Guo zhendon... at gmail.com
Thu Dec 15 16:08:10 CET 2016


Dear everyone
      I use  the functional from LIBXC, showing as follow:
            &XC_FUNCTIONAL
               &LIBXC
                    FUNCTIONAL  XC_GGA_X_RPW86  XC_GGA_C_PBE
               &END LIBXC
            &END XC_FUNCTIONAL.
    then I met such warning:

 *** WARNING in xc/xc_libxc_wrap.F:637 :: This version (3.0.0) of LibXC is
***
 *** new or unknown. ======== Please check the results carefully. ========
***
 ***     More informations on bugfixes can be found at:
***
 *** http://www.tddft.org/programs/octopus/wiki/index.php/Libxc_changes
***
 *** Calculation continues using unsupported LibXC version.

It seems this warning is attributed to the version problem of LibXC.
If anybody can help me solve this warning?

Best regards
zhendong

-- 
Zhendong Guo
Phone: +41786943316
Email:  zhendon... at gmail.com
            zhendo... at epfl.ch
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