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Explaining Abbreviations and Filenames

Ravi
2007-04-23
2013-06-05
  • Ravi

    Ravi - 2007-04-23

    Is there a seperate guide explaining the abbreviations used in files and the function of various files produced by the program?

    I have a few clarifications: Kindy let me know the function of each of these files.

    1. EVALSV.OUT
    2. EVALFV.OUT
    3. OCCSV.OUT
    4. EVECSV.OUT
    5. EVECFV.OUT
    6. IDOS.OUT
    7. LINENGY.OUT
    8. EVALCORE.OUT : What does the "k" in this file stand for?

    Thank you.

     
    • exciting

      exciting - 2007-05-17

      The files will be more completely described in the Users' Guide in a future release. The files you listed are as follows:

      EVALSV.OUT   : A binary file containing the second-variational eigenvalues
      EVALFV.OUT   : A binary file containing the first-variational eigenvalues
      OCCSV.OUT    : A binary file containing the second-variational occupancies
      EVECSV.OUT   : A binary file containing the second-variational eigenvectors
      EVECFV.OUT   : A binary file containing the first-variational eigenvectors
      IDOS.OUT     : The interstitial contribution to the total density of states (DOS)
      LINENGY.OUT  : The linearisation energies for each APW and local orbital and for every atom and species
      EVALCORE.OUT : The core eigenvalues, the "k" is a quantum number for the radial Dirac equation (l or l+1)

      Cheers,
      Kay.

       

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