[Pw_forum] end of self consistent calculation. No convergence has been achieved
zafartariq2003 at yahoo.com
Wed Feb 29 13:29:26 CET 2012
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.
Department of Physics
The Islamia University of Bahawalpur,Pakistan
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