[Pw_forum] (no subject)

[Lorenzo Paulatto]

Dear Anna,

On Mar, Agosto 26, 2008 19:31, Anna Maria Ferrari wrote:
>  1) using the pp program to plot a property
>     what are the units of the e1     vector?

it is expressed in units of "alat" which usually is the celldm(1)
parameter of you input

>  2) how to perform a DOS projected on different atoms? (partial DOS)

The program projwfc.x which is included in QE can do it... actually it
computes pdos for all valence orbitals of all atoms in you system. See 
Doc/INPUT_PROJWFC.html for details; it should be straightforward to use
(I'm assuming you are already familiar with normal dos calculations).

cheers

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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