[Pw_forum] LDOS on x-y direction, perpendicular to z

Guido Fratesi fratesi at mater.unimib.it
Tue May 17 12:30:43 CEST 2011

Dear Alaaii,

it can be done by using projwfc.x
Have a look to examples/example16/README (task number 7) with volumes in 
the near-surface region. You can define volumes which span the full unit 
cell in x-y directions by setting irmin=1 and irmax to the number of 
points in the FFT grid.

Notice that:
Augmentation contributions are currently not included to the DOS in boxes

If you are partitioning charge inside a crystal, using the atom-projected 
DOS might be a better option.


On Mon, 16 May 2011, mashiat alaaii wrote:

> Dear All,
> Is there a way to find the LDOS of different planes (with different
> thicknesses) on x-y direction, perpendicular to z?
> Thank you for your help.
> M Alaaii

Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy

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