[Pw_forum] help needed with projwfc.x
jibiaoli at gmail.com
Sat Nov 25 08:12:27 CET 2006
The same question.
Anyone else knows what's the sequence of the d-orbitals
(dxy,dxz,dyz,dx2-y2,dz2) are assigned in results from projwfc.x
On 9/5/06, aarti srirangarajan <ssaarti at jncasr.ac.in> wrote:
> Dear PWSCF developers,
> Could anyone please explain the output of the program projwfc.x?
> My question is how the values for m = 1,2,3,4,5 are assigned ( m should be
> -2 to +2) ? And in the output files for the PDOS for d-orbitals, what is
> the sequence of the data listed in it.(in terms of dxy,dxz,dyz etc.).
> Thanking you in anticipation
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