The static code writes to standard output and two canonical output files, as well as one of two optional output files. The files are:

• SKENG (Slater-Koster ENerGy)
  
  The SKENG file is the most important output of the static code. It lists the total energy and Fermi energy as for each structure given in the SKIN (Slater-Koster INput) file. Under Mode = 2 and Mode = 4 it also includes the hydrostatic pressure. We have several examples of SKENG files in our examples database.
  
  
• SKOUT (Slater-Koster OUTput)
  
  The SKOUT file contains much more information than the SKENG file, including a rehash of the tight-binding parameter file, the space group file and the k-point mesh, as well as the location of every atom in each calculation, both in lattice coordinates and Cartesian coordinates. In addition, using the TWEAKS file or uncommenting certain write statements in the code will produce debugging output in the SKOUT file (see Trouble Shooting).
  
  Several examples of SKOUT files can be found in our in our examples database.
  
  
• Standard output

  Standard output (Fortran unit 6 or *) is used mainly to keep track of the current location of the program during interactive jobs (see the TWEAKS documentation for an example). Uncommenting several write statements in the source code will produce some additional messages to standard output (see Trouble Shooting).
  
  

The optional auxillary files produced are

• QLMT
  
  This is produced with Mode = 5, Mode = 6, Mode = 9, or Mode = 10. This gives eigenvalue information and (Mode = 5 or 6 only) angular-momentum decomposed occupation information for each eigenstate in the problem. When Mode = 5 the QLMT file is saved as an unformatted Fortran file, otherwise it is saved as a formatted ASCII file. See Example 7, Example 8, or Example 9 for more details.
  
  
• QAPW

  This is an alternative form of the eigenvalue listing (Mode = 8) for use when you only want the eigenvalues as a function of k-point. It is useful, e.g., for producing band structure plots.
  
  

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Current URL: http://esd.cos.gmu.edu/tb/static/output_files.html