[Pw_forum] Convergence

Suza W suza.rri at gmail.com
Fri Sep 7 18:50:28 CEST 2007


 Dear all,

 I'm running the scf calculation for a single charged
 layer. I find that the chemical potential  is very sensitive
 with the vacuum length. It does not  get
 converged even after using a large vacuum of  100 a. u.
 What should one do to get a converged value?

 Yours sincerely,
  Suza
  Raman Research Institute
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