[Pw_forum] project conduction bands to atomic orbital bands

[Giuseppe Mattioli]

Dear Pourya
As long as you calculate the unoccupied bands, you can project them on the Lowdin atomic orbital basis by using projwfc.x. However, keep in mind that 
you cannot project the Kohn-Sham wfcs on atomic states that are not present in the pseudopotentials.
HTH
Giuseppe

On Tuesday, November 18, 2014 05:38:12 PM pourya wrote:
> Dear all
> 
> Hi,
> 
> I would like to know that is there any possibility to project conduction
> bands to atomic orbital band by QE since
> I know we can do it for valence band.
> 
> Best Regard,
> 
> Pourya
> 
> PhD student of Tohoku University
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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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