[Pw_forum] start_q, last_q, start_irr, last_irr

Elie Moujaes elie.moujaes at hotmail.co.uk
Tue Jun 1 22:47:30 CEST 2010

Dear all,


I am trying to get the phonon dispersion of graphene by taking each q on its own and performing the necessary operations (i.e using start_q, last_q, start_irr, last_irr) then merging the points all together . Can anyone please explain to me more about these parameters. I read the INPUT_PH and the examples in GRID but did not actually understand what these mean..I got that irr is irreducible representation but how can one set these each time one runs the calculation for a q.


Thanks ina dvance


Elie Moujaes

University of nottingham

NG7 2RD 

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