Re: [Phonopy-users] Spectral function along high symmetry path

[Alex K. <ake...@gm...>]

Dear Zityab,
Please do not spam by sending unnecessary emails.

Thanks,
Alex



On Thu, Mar 9, 2023 at 5:42 PM MENZA ZITYAB <men...@gm...> wrote:

> Thanks a lot dr.
>
> On Thu, Mar 9, 2023 at 5:35 PM Alex Kent <ake...@gm...> wrote:
>
>> Dear Prof. Togo,
>>
>> I am attempting to calculate the spectral function using phono3py along
>> the high symmetry path. I am interested to produce something like Figure 1
>> of this article https://dx.doi.org/10.1088/1361-648X/ac7b01
>>
>> I wanted to ask if this feature is implemented in the current version of
>> phono3py. I tested something like
>>
>> phono3py --fc3 --fc2 --dim="2 2 3" --dim-fc2="3 3 5" --band="0 0 0 1/2 0
>> 0" --mesh 7 7 11 -c POSCAR --nac --q-direction="1 0 0" --gp=0 --spf
>>
>> but the band options do not make a difference.
>>
>> Thanks a lot for your time.
>>
>> Best
>> Alex
>>
>>
>>
>>
>> _______________________________________________
>> Phonopy-users mailing list
>> Pho...@li...
>> https://lists.sourceforge.net/lists/listinfo/phonopy-users
>>
> _______________________________________________
> Phonopy-users mailing list
> Pho...@li...
> https://lists.sourceforge.net/lists/listinfo/phonopy-users
>