[Pw_forum] Calculation of projected density of states for individual atoms in chain

[Lorenzo Paulatto]

Replying to message "[Pw_forum] Calculation of projected density of states  
for individual atoms in chain" from Dimpy Sharma (24/11/09):
> I would like to know for calculating the PDOS for individual atom

Dear Dimpy,
pdos always computes the projected density of states for each individual  
atom.

In the directory where you have executed projwfc.x you will have a bunch  
of file with names like this:
prefix.pdos_atm#4(Pd)_wfc#3(p)

This file does include projection on the 3rd wavefunction (which is of  
type p) belonging to the 4th atom (of type Pd). Inside the file itself you  
can find several columns that belong to the p_z, p_x and p_y orbitals and  
the total. It is all explained in Doc/INPUT_PROJWFC.txt, together with  
many more details.

best regards

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Lorenzo Paulatto
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