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BSE calculations

Elk Users
John S Tse
2012-04-10
2013-06-11
  • John S Tse
    John S Tse
    2012-04-10

    I would like to confirm in a BSE calculation interband transitions between different k points are not computed, i.e. no indirect transitions.  For example the indirect gap transition in Si is not computed.

    John

     
  • Hi John,

    The BSE matrix has coupling between different k-points in order to allow for excitonic states. For the calculations of the the BSE dielectric function, only vertical transitions are allowed, i.e. using the dipole approximation.

    Hope that helps.

    Cheers,
    Kay.