[Pw_forum] CRASH of ph.x calculation in example06

lan haiping lanhaiping at gmail.com
Sun Aug 27 13:27:17 CEST 2006


 Dear all,

   I wanna obtain phonon spectrum of the irreducible BZ, then i tried to run
$(espresso)/examples/example06.
  But the code came to crash for matrix diagonalization error,  and just
gave  alas.dyn0, alas.dyn1, alas.dyn2 files .
  I then just changed the k_points in scf calculation  from 2 points to
mkgrid (4,4,4, 0,0,0),  and the calculation can be finished sucessfully.

 so, i would like to know whether this  error is due to math-lib or k-point
setting in scf calculation ?

Regards,

Hai-Ping
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