[Wien] Spin-orbit coupling strength tuning

[Peter Blaha]

Yes, this is probably the proper way to do. We use this in some other 
codes to set the relativistic effects to zero ....

Monitor the SO splitting of some semicore p-states to see the effect.

Am 08.05.2015 um 10:04 schrieb Victor Pardo:
> Dear Wien2k users,
>
> we are trying to tune by hand the spin-orbit coupling strength. What is
> the easiest way to do this? We thought that just substituting clight by
> clight*A (where A is whatever factor we want to introduce to modify the
> spin-orbit coupling strength, which is itself a function of c^2) in all
> routines inside SRC_lapwso/ where clight appears would be sufficient.
> Then one would recompile and use the new lapwso executable for the
> calculations with the modified lambda_SO. Is this a proper way to do
> it?, is there any other way?
>
> Yours sincerely,
>
> Victor Pardo
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671