[Pw_forum] mixing_beta and mixing_ndim

alan chen chenhanghuipwscf at gmail.com
Thu Dec 20 17:53:46 CET 2007


Dear PWSCF users,
      I have a question about 'mixing_beta' and 'mixing_ndim'.  In one 'scf'
calculations, I found it converges very slowly.  The 'estimated scf
accuracy'  remains almost a constant in the two subsequent iterations.  Do
you think whether it will help if I change 'mixing_beta' or 'mixing_ndim',
making them larger or smaller?
      Thank you.


Hanghui Chen
Department of Physics, Yale University
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