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
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Peter Blaha
Inst.Materials Chemistry
TU Vienna
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