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TDOS and PDOS

2008-01-30
2013-06-05
  • Thorsten Zandt

    Thorsten Zandt - 2008-01-30

    Hi,
    i found in my calculation, that the TDOS is not equal to the sum of the PDOS! Is this a normal result!

    Thanks
    Thorsten

     
    • exciting

      exciting - 2008-01-30

      Hi Thorsten,

      Yes this is normal because you also have to add the interstitial contribution to the DOS. This is in the file IDOS.OUT.

      Regards,
      Kay.

       
    • Thorsten Zandt

      Thorsten Zandt - 2008-02-01

      He Kay,
      Thanks for your answer! PDOS+IDOS=TDOS works!:-)

      Thanks,
      Thorsten

       

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