[QE-users] Relax with electric field cannot converge

Christoph Wolf wolf.christoph at qns.science
Mon Nov 26 12:07:33 CET 2018

I think there is a typo

lelfield = .TURE. ,

for your convergence issue: run a calc without electric field first, then
restart by reading the charge density from file(startingpot='file') with
field turn on at a small value (you can play that game several times and
increase the value gradually)!


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