[Pw_forum] Optimized tetrahedron method El-Ph Calculation Error

[Isaiah Moses]

Thanks a lot Dr Paolo,

Yes, I have ibrav = 0 after doing a vc-relax of my structure.

I've seen the link but the fix?
I'm trying to understand the fix, does it mean I can't have ibrav =0?

Your comment is highly appreciated.

Isaiah

On Thu, Nov 23, 2017 at 10:08 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> On Thu, Nov 23, 2017 at 11:40 AM, Isaiah Moses <imoses87 at gmail.com> wrote:
>
>      Reading dynamics matrix from file Hex.dyn3
>> -------------------------------------------------------
>> Primary job  terminated normally, but 1 process returned
>> a non-zero exit code.. Per user-direction, the job has been aborted.
>> -------------------------------------------------------
>>
>
> are you by any chance using ibrav = 0? if so, there is a simple fix
> (https://gitlab.com/QEF/q-e/commit/d93cbbb7fc5bcf6cd5effce83
> 8dce32309f02357)
>
>
>> I've checked to ensure the same name were used for the prefix, fildyn and
>> fildvscf
>> in both phonon and el-ph input files.
>>
>>
>> Any help in resolving this shall be greatly appreciated.
>>
>> Isaiah
>>
>>
>> --
>> Isaiah Abu Moses
>> Graduate Student,
>> Physics Department,
>> University of Ibadan,
>> Nigeria
>>
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>>
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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>



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