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