[QE-users] External parameters for libxc functionals

[Hien Vo]

Hello,

I recently tried to perform scan calculations on qe6.6 compiled with libxc-5.1 via including

Input_dft=’scan’

In the input. I got the following warning:

     WARNING: one or more of the chosen libxc functionals depend
      on external parameters: their correct operation is not guaranteed.

How do I fix this? The user manual for QE says that I might have to fix the source code by entering in the parameters but I don’t know what they are …

Best,

Hien Vo<https://galligroup.uchicago.edu/People/hvo.php>
PhD Candidate
Chemistry Department | The University of Chicago

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