[Octopus-devel] [Octopus-notify] svn commit: r6242 - trunk/testsuite/functionals by xavier

[Miguel Marques]

  Hi,

> There are some things to check: 8 functionals (including gga_c_lyp)
> fail with segmentation fault and several (including gga_xc_lb) give
> zero energy.

That gga_xc_lb returns zero is normal, as it is a functionals for the
potential, not the energy. Actually, octopus should stop with an error
in this case (libxc does return that information). Of course, the other
functionals should not return zero and much less a segfault... I will
not be able to look into this as I am leaving tomorrow for holidays.
maybe in Benasque...

  Miguel


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