[Pw_forum] ultrasoft pseudopotential

[alan chen]

Dear PWSCF users,
      I have just begun to use ultrasoft pseudopotentials (uspp). There are
two energy cutoffs in PWSCF code. One is ecutwfc and the other is ecutrho.
By default, ecutrho = 4*ecutwfc. However, it is said that for uspp, ecutrho
should be larger than default value. So how large an ecutrho shall I set
with respect to ecutwfc? Five times or eight times?
      The elements I am now calculating are O, Al, Sr, Ti and La.
      Thank you very much for your advice.


Hanghui
Department of Physics
Yale University
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