PDOS

[nadler]

Hi Clare,
Create a copy of each atomic kind you have, remove the other atomic kinds 
from the files and open each file with xmgrace or Gnumeric. With xmgrace 
you should load the PDOS as block data. Gnumeric also allows you to read 
ascii files and would be the more comfortable solution. Then you can sum 
them to obtain the DOS. Looking into the PDOS file gives you the 
information about what quantity is in each column. That's how I'm doing it, 
others may know a more efficient procedure (which I would be glad to learn).
Regards,
Roger


On Monday, April 16, 2012 8:08:10 PM UTC+2, Clare Howson wrote:
>
> Hello all, 
> My apologies for this foolish question but how to I convert PDOS to 
> DOS or print the density of states?

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