[QE-users] Error c_bands eigenvalue not converged

Christoph Wolf wolf.christoph at qns.science
Thu May 3 12:02:58 CEST 2018


Hi Mahdie,

without any input hard to say.. things that might help:

- increase k points
- increase cutoff
- change mixing_mode and lower mixing_beta
- select 'cg' style diagonalization

good luck!
Chris

On Tue, May 1, 2018 at 12:00 PM, <users-request at lists.quantum-espresso.org>
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> Date: Tue, 01 May 2018 06:05:53 +0000
> From: Mahdie Zeinali <zeinalimahdie at gmail.com>
> To: users at lists.quantum-espresso.org
> Subject: [QE-users] Error c_bands eigenvalue not converged
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> Hi
> I At the first, I was running  SCF fail and after epsilon fail, but i get
> this error ,how can I solve it?
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-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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