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Elk Users
2014-02-04
2014-02-04
  • amirhossein
    amirhossein
    2014-02-04

    Hi friends
    I have depicted the two curves included in epsilon_12.out file of GaAs crystal. are they real and imaginary part of dielectric function? So why this curves are not similar to the diagrams published in other studies.
    Please tell me what are the contents of any of the following files:
    epsilon_12.out
    band.out
    BAND_S01_A0001.OUT
    BAND_S02_A0001.OUT
    CHI_123.OUT
    CHI_INTERw_123.OUT
    CHI_INTRA2w_123.OUT
    SIGMA_12.OUT
    thanks a lot
    best rigards

     
  • Markus
    Markus
    2014-02-04

    Hi,

    EPSILON_12 is the 12 off-diagonal component of the dielectric tensor with real and imaginary parts.

    SIGMA_12 is the same for the optical conductivity.

    BAND contains the band structure alsong your specified path.

    BAND_Sxx_Ayyyy contains atom- and angular-momentum projected band structures.

    CHI_* is related to non-linear optics.

    Markus