[Pw_forum] problem of cutoff convergence
S. K. S.
sks.jnc at gmail.com
Sat Nov 1 05:51:23 CET 2008
Dear Yuan ping,
I met more surprising problem even in the case of
a bulk system. There for almost all the energy cut-offs used
(40 Ry to 120 Ry in steps of 10 Ry)
the values for the pressure is reasonably well converged, except just a
single point of energy cut-off (~70 Ry).
I think, it can be a problem associated with the particular
It is really an interesting experience to check the convergence
of some physical properties as a function of energy cut-offs.
I guess, many others in this forum also might have already come across
similar kind of jump, what you have found. Expecting
comments from them.
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