[Pw_forum] phonon elph espresso 3.2
Paolo Giannozzi
giannozz at nest.sns.it
Thu Mar 1 14:23:41 CET 2007
On Feb 22, 2007, at 11:50 , Andrea Floris wrote:
> Sometime when one wants to perform phonon-e-ph calculation in the
> Brillouin zone BZ, it is faster to divide by hand the q's (i.e.
> parallelizing
> by hand:), and then compute in parallel each q. That's why the option
> ldisp=.false. can be useful also in the contest of an a2F
> calculation, in
> which by definition one needs the q's in BZ.
it works for me, if I understand correctly what you want. See the
attached input and output (1 = ldisp=.true. , 2 and 3 single q-point
calculations)
Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy
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