[QE-users] Error in ph.x

[Lorenzo Paulatto]

use qe6.5 or 6.6
regards

On 10/12/20 6:52 PM, LEUNG Clarence wrote:
> The Version of QE I used is QE630. Thanks.
> 
> 
> 
> -------- Original message --------
> From: LEUNG Clarence <liangxy123 at hotmail.com>
> Date: 13/10/2020 00:50 (GMT+08:00)
> To: users at lists.quantum-espresso.org
> Subject: [QE-users] Error in ph.x
> 
> Dear QEuser,
> 
> Recently, I come across a problem in runing ph.x as follow:
> 
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine phq_readin (1):
>       The phonon code with LDA+U is not yet available
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> This is a system must include DFT+U method. If I do not use DFT+U in 
> scf, it cannot converge even at 1000 steps.
> 
> It is very appricated that give me some advices.
> 
> Best regards,
> Clarence
> Postdoc
> Department of Materials Science and Engineering
> City Univeristy of Hong Kong
> 
> 
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-- 
Lorenzo Paulatto - Paris