[QE-users] using hybrid functional with vcut

[José Carlos Conesa]

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