[Pw_forum] dos

Lorenzo Paulatto paulatto at sissa.it
Tue May 5 10:54:16 CEST 2009


In data 05 maggio 2009 alle ore 10:16:09, yaldaa kh <yaldachem at gmail.com>  
ha scritto:

> Dear all
> please explain
> for plotting dos/pdos of different systems (in one panel) fermi energy is
> set zero, while the values of their fermi energy are different.
> now, what will be the scale of horizontal axis?

Dear Yaldaa,
I'm not sure I'm giving you the answer you wanted, yet this is what I can  
say:
pdos/dos output file are NOT scaled to bring the Fermi energy to zero.  
E.g. if you are using gnuplot and you want to have Ef=0 in the plot you  
can use a command like this:
  plot 'dos.dat' u ($1-Ef):2
wher Ef is (guess what?) the Fermi energy you can get from the output of  
the scf calculation.

The scale of energy (horizontal axes) is in eV.

regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
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