[Pw_forum] end of self consistent calculation. No convergence has been achieved

[zafar rasheed]

Dear QE users,
 I am trying to perform a phonon calculation on
 a uniform grid of q-points for zinc blend 
 (consists on 8 atoms)structure.
  First, I did the scf calculation for a 
  4x4x4 Monkhorst-Pack grid and tried to
  calculate phonons on a uniform (4x4x4) 
  grid via ldisp true,but the program 
  phonon stopped with the error "end of 
  self consistent calculation. No convergence 
  has been achieved" in the representation 2  
 (mode 2) and not create dyn3 file at 
 alpha_mix from 0.7. When I change 
 alpha_mix from 0.7 to 0.1 same problem 
 occurs at representation 2 (mode 2) and 
 dyn8 file not created.
 Will any body help me.


Muhammad Zafar

PhD Scholar

Department of Physics

The Islamia University of Bahawalpur,Pakistan
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