[Pw_forum] Strange Values of Tc

[Isaiah Moses]

Here is lambda.in and out.

On Fri, Jul 28, 2017 at 12:13 PM, Isaiah Moses <imoses87 at gmail.com> wrote:

> Dr Giovanni,
> Thanks a lot.
> I appreciate your response.
> We observed few values of frequencies to be negative.
> Matdyn1 has few more with others having either the first or the first 2/3
> to be negative.
> We set those to be zero, modifying lambda.f90 code.
>
> Could that be the problem?
>
> I've attached the input/output for lambda.x execution. Also matdyn1 and 45.
>
> There are 62-points and 33 irreps.
> I appreciate your time.
>
> Isaiah
>
> On Fri, Jul 28, 2017 at 10:41 AM, Giovanni Cantele <
> giovanni.cantele at spin.cnr.it> wrote:
>
>> Not that easy to answer without seeing relevant input/output files.
>>
>> As far as I know, Tc is quite difficult to converge. Did you made VERY
>> VERY VERY careful checks on convergence with
>> resect to ALL calculation parameters, starting from phonon frequencies?
>>
>> Giovanni
>>
>>
>> On 28 Jul 2017, at 11:37, Isaiah Moses <imoses87 at gmail.com> wrote:
>>
>> Dear everyone,
>>
>> I did an el-ph calculation of a monoclinic structure and am getting
>> really strange values of Tc . See the result below
>> lambda        omega_log          T_c
>>    0.00994       112.048            0.10012314E+08
>>    0.03760        92.373            0.13380511E+10
>>    0.07564        90.247            0.39802174E+19
>>    0.09959        89.414            0.19865362E+78
>>    0.11010        89.463            0.40671597-151
>>    0.11454        90.329            0.16986711E-65
>>    0.11678        92.320            0.99512429E-51
>>    0.11772        94.657            0.29927798E-46
>>    0.11744        97.141            0.16242032E-47
>>    0.11619        99.442            0.65514785E-54
>>
>> I'm wondering why such values.
>>
>> Any comment shall be greatly appreciated.
>>
>> Thanks,
>> Isaiah
>>
>> --
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>>
>>
>>
>> --
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>> _______________________________________________
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>>
>>
>> --
>>
>> Giovanni Cantele, PhD
>> CNR-SPIN
>> c/o Dipartimento di Fisica
>> Universita' di Napoli "Federico II"
>> Complesso Universitario M. S. Angelo - Ed. 6
>> Via Cintia, I-80126, Napoli, Italy
>> e-mail: giovanni.cantele at spin.cnr.it
>> Phone: +39 081 676910
>> Skype contact: giocan74
>>
>> ResearcherID: http://www.researcherid.com/rid/A-1951-2009
>> Web page: http://people.fisica.unina.it/~cantele
>>
>>
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>>
>
>
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>



-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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