[Pw_forum] too many bands are not converged

[Ngoc Linh Nguyen]

Chad Junkermeier wrote:
> I also made the appropriate changes to the lattice constants.
>
>   
>> Hello Pw_forum,
>>  I was working on a model system using a 2x2 supercell, everything  
>> worked fine.  I switched a 4x4 system and I repeatedly get the  
>> following error:
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>> %%%%%%%%%
>>     from c_bands : error #         1
>>     too many bands are not converged
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>> %%%%%%%%%
>>
>>     
This is very frequently asked question.
Normal ways to fix are: - reduce mixing_beta or change the scheme of 
diagonalization
- visualize to model to check if there are any too close or overlap 
atoms' positions.


Good luck,

Linh


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