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- From: jzwanzig@dal.ca
- To: forum@abinit.org
- Subject: ngqpt variable in anaddb
- Date: Mon, 3 Dec 2007 22:44:43 +0100
Dear Colleagues,
I am computing the phonon spectrum of a cubic solid (with a large unit cell).
I am a little puzzled about the input variable "ngqpt" for anaddb. I computed
the phonons using kptrlatt 2 2 -2 -2 2 -2 -2 2 2, and the set of qpts
obtained from this as in the tutorial. There were six such q-points,
including gamma. What is the proper input for anaddb? ngqpt 2 2 2, or
something else? I am afraid I made a mistake with my initial choice of
kptrlatt, and it is not really compatible with what anaddb can do. Any advice
is welcome.
Thanks,
Joe
- ngqpt variable in anaddb, jzwanzig, 12/03/2007
- Re: [abinit-forum] ngqpt variable in anaddb, Matthieu Verstraete, 12/04/2007
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