[QE-developers] Berry Phase on BaTiO3 - unexpected renormalization of the Phase value

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu May 26 09:31:15 CEST 2022


Should be fixed now: https://gitlab.com/QEF/q-e/-/merge_requests/1848.
Thank you for reporting this

Paolo

On 16/05/2022 11:30, Spreafico, Samuele wrote:
> Dear all
> 
>  >so temporary that it has already disappeared!
> 
> 
> My apologize for the inconvenience.
> Here the link with the files:
> https://gigamove.rwth-aachen.de/en/download/60b1698d10913060504c578793f32328 
> <https://gigamove.rwth-aachen.de/en/download/60b1698d10913060504c578793f32328>
> 
> Regards
> Samuele
> 
> ------------------------------------------------------------------------
> *From:* Paolo Giannozzi <paolo.giannozzi at uniud.it>
> *Sent:* Saturday, 14 May 2022 12:26:25
> *To:* General discussion list for Quantum ESPRESSO developers; 
> Spreafico, Samuele
> *Cc:* Meyer, Bernd
> *Subject:* Re: [QE-developers] Berry Phase on BaTiO3 - unexpected 
> renormalization of the Phase value
> On 13/05/2022 16:17, Spreafico, Samuele wrote:
> 
>> In the following temporary link
> 
> so temporary that it has already disappeared!
> 
> Paolo
> -- 
> 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

-- 
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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