[Wannier] Wannier90 calculation related issue

[Anindya Bose]

Dear Experts,
I could not be able to resolve the lattice mismatch issue yet, please
suggest what can be dome here and how can I resolve this problem.
In the seedname.win file I have put the the same atomic position and cell
parameter values obtained in relax.out file still the mismatch is
happening.Please help.

Thanks and regards,
Anindya Bose

On Thu, May 31, 2018 at 10:20 PM, Anindya Bose <anindya at iiita.ac.in> wrote:

> Dear All,
> I have uploaded all my files with this mail.Please help me to resolve this
> error.
>
> Thanks and regards,
> Anindya Bose
>
> On Thu, May 31, 2018 at 10:00 PM, Lorenzo Paulatto <paulatz at gmail.com>
> wrote:
>
>>
>>> Something wrong!
>>> rlatt(i,j) = 0.40474288765015115 at(i,j)= 1.0000000000000000
>>>
>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>> %%%%%%%%%%%%%%%%%%
>>>
>> Dear Anindya,
>> I think this happens if the lattice you defined in the prefix.win file is
>> not consistent with the one in the pw.x input. You can provide a snippet of
>> the two if you wish we have a look. Don't forget to re-run
>>   wannier90.x -pp prefix
>> before pw2wannier90 if you edit it.
>>
>> hth
>>
>> --
>> Lorenzo Paulatto - Paris
>>
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>>
>
>
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