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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