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preparation of jx.config from scratch
Date: 2023/10/31 18:40
Name: Riyajul Islam   <>

Dear All,

I am a new user of Openmx. I have a few question regarding the use of openmx.

Is there any way to generate jx.config file automatically for a large bulk unit cell of W-type hexaferrite SrFe18O27?

The magnetic moments obtained using this is almost 1 bohr magneton smaller than the results obtained using vasp using the same U value of 3 eV. The files I used to generate scfout and the output files may be found in the URL below.

Any kind of help would be greatly appreciated.

Thank you.

Best regards,
Riyajul Islam

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Re: preparation of jx.config from scratch ( No.1 )
Date: 2023/11/10 11:17
Name: Asako Terasawa


Currently, there is no script that is released officially to generate jx.config.
I have my private script that can generate jx.config from the coordinate files.
I may be able to make it downloadable in a couple of weeks or so, but not yet.
Personally, I recommend you to try Jij calculation of small systems such as bcc Fe at first,
so that you can get used to the program.

The difference in magnetic moment compared with VASP may be another problem.
I recommend you to ask in another thread if you have a problem with it.

Re: preparation of jx.config from scratch ( No.2 )
Date: 2023/11/09 17:58
Name: Riyajul Islam  <>

Thank you so much for your reply.

Page: [1]

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