[QE-developers] el_phonon error using interpolated techniques ( from lint : error # 111 cannot remap grid on k-point list )

[Paolo Giannozzi]

Yes, I confirm what I wrote earlier: the calculation of electron-phonon
coefficients with noncolinear magnetization or spin-orbit interactions does
not work. My understanding is that it has _never_ been working. There is
some ongoing work on it so it might be working in the next release

Paolo

On Fri, May 7, 2021 at 7:18 AM Zegnet Muhammed <zymuhamm at uark.edu> wrote:

>
>
> Dear All
>
>
>
> I hope you are doing great with your family. I was trying to run
> electron-phonon calculation for BiTeI (ibrav=4) using interpolated
> techniques. However, the computation crashed when it starts to compute
> BiTeI.dyn2 with an error “  from lint : error #       111      cannot remap
> grid on k-point list  “. I have tried to look for solution in QE forum and
> online but none of them are helpful. I would really appreciate if you have
> some solution. This type of error is also found for hcp system while
> running band structure calculation.
>
>
>
>
>
> I have used 12x12x8 automatic k point for dense grid, 6x6x4 automatic grid
> for coarse, and 6x6x4 q grip for the electron-phonon.    Thank you very
> much.
>
>
>
>
>
> *Sincerely, Zegnet Yimer Muhammed*
>
> *Physics Graduate Assistant*
>
> *University of Arkansas, Fayetteville*
>
> *Physics Department*
>
> *Office: Phys 231*
>
>
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> developers at lists.quantum-espresso.org
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>


-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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