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projected density of states


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  • From: Sergio Di Matteo <sergio.dimatteo@univ-rennes1.fr>
  • To: forum@abinit.org
  • Subject: projected density of states
  • Date: Fri, 19 Oct 2007 11:50:59 +0100

Dear abinit users,

I am a newcomer in the abinit community: I followed the first 4 tutorials (which are by the way very well written, in a pedagogical style, congratulations to the person(s) who did it !) and learnt how to calculate band-structures.
However what I need now is, fixed a k-direction (say, k_z), the density of electronic states at a given energy in the plane perpendicular to k_z (ie, a 3D plot as a function of k_x and k_y, integrating out the k_z direction).
I would like to ask you if there is, in the abinit package, a way to extract out of the 5D-space (density of states, energy, k_x, k_y, k_z) the DOS as a function of (k_x, k_y) at fixed energy and integrating on k_z, or if I need to write a small program for it ex-novo...

Thank you in advance,
Sergio



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