[Wien] xc_f03_mgga_x_tb09_set_params

[tran at theochem.tuwien.ac.at]

Hello,

This is because of some change (concerning parameters) in the last
few versions of libxc. The attached libxc.F will be in the next
version of WIEN2k.

FT

On Sunday 2017-12-31 04:24, Arthur H. Edwards wrote:

>Date: Sun, 31 Dec 2017 04:24:04
>From: Arthur H. Edwards <edwardsah3 at fastmail.fm>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] xc_f03_mgga_x_tb09_set_params
>
> I got WIEN2k_17 compiled on a Linux machine (x86-64) running 16.04 Ubuntu. I am now having difficulty compiling with libxc. There is a routine, xc_f03_mgga_x_tb09_set_params, that is referenced but is not found. I have looked at the code in libxc, and there is, in fact, no such routine. Because the call only appears in two if-statments for, I assume, a specific XC potential, and because I do not foresee using any meta gga XC potentials, I have simply commented the two lines out. Specifically, they appear in SRC_lapw0, in libxc.F, in lines 45 and 112. After commenting these lines out, lapw0 compiled successfully.
>
> Art Edwards
>
> --
>  Arthur H. Edwards
>  edwardsah3 at fastmail.fm
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