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- From: "Patrick B. Hillyard" <phillyar@stanford.edu>
- To: forum@abinit.org
- Subject: projected Phonon DOS
- Date: Mon, 02 Apr 2007 10:06:52 -0700
Dear Abinit users,
I am interested in calculating a projected phonon Density of States. In the Reponse Function, the capability exists to calculate both the total phonon DOS and also phonon dispersion curves. I am interested in taking the phonon DOS (integrated over a fine mesh in the BZ) and projecting the displacement vectors onto a given reciprocal lattice vector. Is this possible?
Any suggestions are appreciated!
Thanks,
Pat Hillyard
- projected Phonon DOS, Patrick B. Hillyard, 04/02/2007
- Re: [abinit-forum] projected Phonon DOS, Xavier Gonze, 04/03/2007
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