Re: [Phonopy-users] phono3py yaml.parser.ParserError: did not find expected <document start>

[Antonio C. <cam...@fe...>]

Hi Togo,

yes, without the calculator and the unit cell options it works for me. 
Thanks a lot for this!

All the best

Antonio

On 03. 09. 24 13:18, Atsushi Togo wrote:
> Hi Antonio,
>
> It is indeed a bug. I think it goes fine if you run without "--abinit 
> -c ab.in <http://ab.in/>". I updated the documentation to clarify it, 
> https://phonopy.github.io/phono3py/command-options.html#utilities-to-create-default-input-files
>
> Phonopy is gradually shifting to rely more on phonopy_disp.yaml, where 
> the force calculator (abinit, etc) information is stored now as well 
> as the crystal structure, so no need to indicate it from the command 
> line option. But implementation of command line user interface keeping 
> backward compatibility is quite complicated and uneasy to write tests. 
> It is difficult to avoid bugs. Report like yours is very helpful.
>
> Togo
>
> On Tue, Sep 3, 2024 at 7:54 PM Antonio Cammarata via Phonopy-users 
> <pho...@li...> wrote:
>
>     Dear all,
>
>     I am using phono3py 3.4.0 with phonopy 2.27.0 installed in a conda
>     environment. When I issue the command
>
>     phono3py --cf3  $list --abinit -c ab.in <http://ab.in>
>
>     I get the error
>
>     yaml.parser.ParserError: did not find expected <document start>
>        in "ab.in <http://ab.in>", line 10, column 4
>
>     In the command line, the variable $list contains the paths to the
>     files
>     */ab_forces_phnpy; each of it, contains the forces on the atoms
>     grep-extracted from the abinit output file. The version of ABINIT is
>     9.4.2. I have to add that it was always working for me but now
>     this is
>     the first time that I get this error.
>
>     The files to reproduce the error cannot be attached due to limit
>     of the
>     attachment size. If needed, I can provide a link to download them.
>     Any
>     help to solve it will be greatly appreciated.
>
>     Thanks a lot in advance.
>
>     Antonio
>
>     -- 
>     _______________________________________________
>     doc. Antonio Cammarata, PhD in Physics
>     Associate Professor in Applied Physics
>     Advanced Materials Group
>     Department of Control Engineering - KN:G-204
>     Faculty of Electrical Engineering
>     Czech Technical University in Prague
>     Karlovo Náměstí, 13
>     121 35, Prague 2, Czech Republic
>     Phone: +420 224 35 5713
>     Fax:   +420 224 91 8646
>     ORCID: orcid.org/0000-0002-5691-0682
>     <http://orcid.org/0000-0002-5691-0682>
>     ResercherID: A-4883-2014
>
>
>
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>     Pho...@li...
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>
>
>
> -- 
> Atsushi Togo
>
>
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-- 
_______________________________________________
Antonio Cammarata, PhD in Physics
Associate Professor in Applied Physics
Advanced Materials Group
Department of Control Engineering - KN:G-204
Faculty of Electrical Engineering
Czech Technical University in Prague
Karlovo Náměstí, 13
121 35, Prague 2, Czech Republic
Phone: +420 224 35 5711
Fax:   +420 224 91 8646
ORCID: orcid.org/0000-0002-5691-0682
ResercherID: A-4883-2014