[Pw_forum] Problems with phonon calculation

Ary Junior aryjunior at gmail.com
Tue Feb 10 18:07:16 CET 2009


Hello,

I have a very large system and I must do a phonon calculation. This
calculation takes months, so I want to do with only few atoms. But the
variable nat_todo seems to not work. When I enable the variable for a little
system, it only makes the calculation ph.x to the atoms that I ask, but with
my system of interest, no matter if I insert nat_todo, nrapp or maxirr, it
continues making 3*n representations.

Thanks very much!
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