Do you really need the libxc ???
All the standard functionals are directly implemented in WIEN2k.
libcx is only an "option" in case you want to use a particular
functional. Do you plan such calculations ?
And: do you need version 5.0.0 (because you want to use a functional
which is only present there ??
Am 20.06.2020 um 14:03 schrieb sherif Yehia:
Dear Gavin
I tried libxc version 5 with this commend
./configure FC=ifort --prefix=$LIBXCDIR
I get this error
checking for the size of a Fortran integer... configure: error: in
`/home/sherifyehia/Desktop/comp/XC/libxc-5.0.0':
configure: error: f90 program to find the size of a Fortran integer failed
when I put FC =gfortran it give no error
But again I have problem to recompile lapw0
Can anyone advise how to solve this problem?
Thank you
On Sat, Jun 13, 2020 at 11:02 PM Gavin Abo <gs...@crimson.ua.edu
<mailto:gs...@crimson.ua.edu>> wrote:
The libxc website [1] has a new version 5.0.0, but it doesn't
compile with WIEN2k (version 19.2). I have linked in libxc 4.3.4
from [2] instead. Does anyone have a patch for using the version 5.0.0?
[1] https://www.tddft.org/programs/libxc/download/
[2] https://www.tddft.org/programs/libxc/download/previous/
Thanks,
Gavin
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