Re: [Phonopy-users] Error of "BORN not found"

[Atsushi T. <atz...@gm...>]

The file name has to be BORN, and you specify not "--nac
born_charge_file_name" but just "--nac".

This user-interface design is not good...

Togo

On Thu, Jan 28, 2016 at 10:45 PM, liy...@gm...
<liy...@gm...> wrote:
> Dear Prof. Togo,
>
> Thanks for your kind response to my last question about the unit conversion.
> According to the information you provided, the energy unit in PWscf is Ry
> and the distance unit is Bohr, so I use 2 as the unit conversion.
> According to the format for born effective charge file as written in Phonopy
> manual, I should first start with the unit conversion, then dielectric
> constant, after that comes Born effective charges (9 columns) for each atom.
> So I prepared the born charge file following this way. When I employed
> "--nac born_charge_file_name", phonopy told me the "BORN not found". I
> checked the filename carefully and found there is no mistake with the file
> name I provided. Could you kindly give me any tip to solve this problem?
>
> Thanks you for your kind efforts!
>
> Best Regards,
> Dr. Yin Li
> Research Associate
> Department of Biophysics, Medical School, University of Pecs,
> No.12 Szigeti Street, Pecs, H-7624, HUNGARY
> Phone: +36-72-535271/36271
>
> ________________________________
> Dr. Yin Li
> Department of Biophysics,Medical School, University of Pecs,
> No.12 Szigeti Street, Pecs, H-7624, HUNGARY
> Phone: +36-72-535271/36271
>
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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...