Dear Rong
The behaviour you found can vary
dramatically depending on the system
(a run dominated by diagon or ordern
will not notice the variation in mesh cutoff,
while a run dominated by dhscf will)
Emilio
Rong Yu wrote:
Dear All,
It seems the mesh-cutoff does not significantly influence the
calculation time.
For FCC Pt, the used mesh-cutoff and the total time are listed as
follows:
============================
Mesh-cutoff (required, used) time
60 76 214
100 136 239
200 213 240
============================
Is this normal? If yes, I wonder why not set default mesh-cutoff to a
larger value, say 200?
Thanks,
Rong
--
Emilio Artacho
Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
[EMAIL PROTECTED], http://www.esc.cam.ac.uk/~emilio
