[Pw_forum] Optimized tetrahedron method El-Ph Calculation Error

[Paolo Giannozzi]

After line 205 of PHonon/PH/elphon.f90, add these 6 lines; then recompile.

  IF ( ibrav_ == 0 ) THEN
     READ (iudyn, '(a)') line
     READ (iudyn, '(a)') line
     READ (iudyn, '(a)') line
     READ (iudyn, '(a)') line
  END IF

On Fri, Nov 24, 2017 at 8:04 AM, Isaiah Moses <imoses87 at gmail.com> wrote:

> 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
>>>
>>> _______________________________________________
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
>>> http://pwscf.org/mailman/listinfo/pw_forum
>>>
>>
>>
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
>> <+39%200432%20558222>
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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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