[Pw_forum] phonon calculation with no convergence

Peram sreenivasa reddy peramsreenivas at gmail.com
Fri May 31 04:44:25 CEST 2013


 It is useful to reduce the "alpha_mix(1)" value. Default value is 0.7. You
can use 0.1. It will converge...........

On Fri, May 31, 2013 at 7:56 AM, Sanjeev Gupta <physics.skgupta at gmail.com>wrote:

> It is common problem, please try to look FAQ from the website.
> Further, one possible help to use alpha_mix and  nmix_ph, may solve your
> problem.
>
> Bests
> S
>
>
> On Thu, May 30, 2013 at 6:45 PM, <moonfine at mail.sdu.edu.cn> wrote:
>
>>  Dear all,
>> I am doing phonon calculation.
>> and it ends  with error "No convergence has been achieved "
>>
>> "  End of self-consistent calculation
>>
>>      No convergence has been achieved
>>  "
>>
>> How can I solve it? Any suggestion will be apprecieted.
>>
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>>
>
>
>
> --
> With Best Regards,
>
> ------------------------------------
> Dr. Sanjeev Kumar Gupta
> Fulbright Post-Doctoral Scholar
> Dept. of Physics
> Michigan Technological University
> 1400 Townsend Drive, Houghton
> MI 49931, USA
> ------------------------------------
>
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> http://pwscf.org/mailman/listinfo/pw_forum
>
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