related to optical linear response tensor

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related to optical linear response tensor

Forum: EXCITING Users

Creator: SangHwan Kim

Created: 2008-10-08

Updated: 2013-06-05

SangHwan Kim - 2008-10-08

Dear All,

I am interested in calculating linear optical properties of semiconductors or insulators.
So, I found an example, TiO2-linopt.
After total energy converged, I saw two files, EPSILON_11.OUT and SIGMA_11.OUT generated.
It seems that there are two different sets of two columns.

Please let me know the meaning of each column and of each set in the files.

Best,
Sang-Hwan (Postdoc)
University of Houston

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- exciting - 2008-10-08
  
  The first set is the real part of the tensor element and the second is the imaginary part.
  
  Cheers,
  Kay.
  
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- SangHwan Kim - 2008-10-08
  
  Am I right to consider the first column as energy region in Ry?
  
  Best Wishes,
  
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  - exciting - 2008-10-09
    
    The first column is energy in Hartree (always atomic units :-) )
    
    Cheers,
    Kay.
    
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