[Pw_forum] No convergence has been achieved

[Peram sreenivasa reddy]

Dear Sonu Kumar,
                              With your advice i tried but still i am
getting still the same non convergence problem. Is there any way to
increase number of iterations greater than 100.

Than you in advance .........


On Fri, Sep 20, 2013 at 1:09 PM, Peram sreenivasa reddy <
peramsreenivas at gmail.com> wrote:

> Dear Sonu Kumar,
>
> Thank you very much for replay.
>
> I will try your suggestion and get back to you.
>
>
> On Fri, Sep 20, 2013 at 10:26 AM, Sonu Kumar <1009ukumar at gmail.com> wrote:
>
>> Hi,
>>
>> First try to reduce your conv_thr =  1.0d-8 to 1.d-10 or may be more.
>>
>> and then check with phonon convergence tr2_ph=1.0d-14 or 1.d-16.
>>
>> hope it helps!!!
>>
>> Sonu
>> IITD
>>
>>
>>
>>
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>>
>
>
>
>
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