[Pw_forum] How to set ecutwfc and ecutrho
jameslipd at gmail.com
Wed Nov 11 09:17:29 CET 2009
I am curious about the calculation speed related to "ecutwfc" and "ecutrho".
As indicated in the tutorial, ecutwfc represents the energy cutoff (Ry) and
ecutrho refers to kinetic energy cutoff for charge density and potential. I
cannot fully understand the meaning of that brief description. From my
experience (vasp), the larger the energy cutoff, the slower the calculation
would be, but more accurate. I just would like to know how to set the
experience values of the two flags for the case of metal bulk (and surface)
and metal oxide bulk (and surface)? Thank you.
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