[Wien] Question about the SCISSORS operation on the calculated density of states

[YOOSOO YI]

Dear all,



I have a simple question about applying the SCISSORS operation to the
density of states (DOS). I have calculated the density of states for
relatively simple Mg-silicates in crystalline phases. After that I tried to
find a way to apply the SCISSORS operation to the calculated DOS, i.e. a
rigid shift of conduction band to a higher energy region.



I have found that KRAM program can apply the SCISSORS operation to the
conduction band to obtain reliable optical properties (using OPTIC, JOINT
and KRAM). KRAM can generate the case.epsilon, case.sigmak, case.eloss, and
case.sumrules, but it does not seem to be possible to calculate the DOS
with a shifted conduction band according to the arbitrary defined SCISSORS
parameter. However, I cannot find a procedure for applying the SCISSORS
operation to the calculated DOS.



What I want to do is just shift the conduction band in the calculated DOS
to a higher energy region, not calculating optical properties of the target
material. How can I apply the SCSSORS operation on the calculated DOS using
WIEN2k?



Sincerely, YOOSOO
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