[Wien] Dielectric function , HSE (YS-PBE0) and spin-orbit coupling

[Luis Ogando]

Dear Wien2k community,

   I would like to calculate the dielectric function of GaP in the wurtzite
symmetry but I only get a reasonable band structure using HSE (YS-PBE0).
   My problem is that spin-orbit coupling (SOC) has a significant
contribution to the electronic properties of this system and I was thinking
about some way to, at least, estimate the SOC effect on "epsilon".
   Considering that SOC is relevant but less important than HSE, my first
trial would be:
1) run a regular SCF cycle with -hf option ( run_lapw -hf ... )
2) after that, I would run " x lapwso " to get a rough idea of the SOC
effects
3) calculate the dielectric function as explained in the Wien user guide
for the SOC case, but including -hf with the appropriate executables.
   As I do not in deep know the programs, I am not sure if this would work
or give rise to a crash.
   Do you believe that this procedure would give me the approximate SOC
effects on the dielectric function ?
   Any other suggestion would be highly appreciated.
   Thanks in advance.
   All the best,
                       Luis
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