Dear colleagues,
I am carrying out HSE calculations with a unit cell that has rather
noncubic shape. Following the advice of the manual I use therefore
exxdiv_treatment='vcut_ws'; but I have no idea on the value that I
should use for ecutvcut. Is there any guide? Should it depend on the
unit cell dimensions, on the type of pseudopotential, on the ecutwfc
value? Please give some hint on the good way to estimate the value of
that parameter.
All the best,
JC Conesa
--
José C. Conesa
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie 2, Madrid, Spain
www.icp.csic.es
Tel. (+34)915854766
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