[Pw_forum] In the presence of electric field: which parameter help with convergence

[Christoph Wolf]

Dear all,

a happy new year!

I have recently played with 2-D materials (yes, graphene) and electric
fields. I encountered several situations where convergence is really hard
to achieve and I was wondering which of the following parameters is usually
considered to be helping with convergence

&control
....
    lelfield=.true.
    gdir=3
    nberrycyc=6
   nppstr=1
/

&ELECTRONS
 ....
 mixing_beta=0.4
 mixing_mode='TF'
 efield_cart(3)=0.00275
/


the system is separated in z-direction by ~20A of vacuum. the cutoffs for
(NC) PPs were converged in the field-free case.

What is a suggested "systematic" approach to get convergence in fields of
this magnitude?

Your help is greatly appreciated!

With best wishes for the new year,

Chris
-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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