[Pw_forum] Using mixture of pseudo potential
vovi47 at yahoo.com
Tue May 31 03:23:46 CEST 2011
In my calculation, I used a mixture of pseudo potentials, ie. norm-conserving pp
(NC pp) for one element and ultrasoft pp (US pp) for another. If I don't
specify ecutrho in the input, what will be the default value for ecutrho for the
ultrasoft pp. I know that for NC pp, ecutrho = 4*ecutwfc, but I do not know if
the same value is used for US pp. On the other hand, if I specify ecutrho =
8*ecutwfc, then does the same value apply to the NC pp.
Thank you very much,
University of Houston
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