Need help regarding a sample i/p file

Run-time issues concerning Yambo that are not covered in the above forums.

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Need help regarding a sample i/p file

Postby schopra1980 » Sat Mar 01, 2014 8:54 am

Dear Sir,
Please pardon me for asking a non-yambo related question here. Could anyone send me an i/p file for a 5X5X1 graphene supercell? I need to run Yambo code on this sample. But I am unclear about adding its coordinates to ABINIT i/p file. I need to do it right. I am actually unclear as to how to select acell and rprim and xangst values for the same.
Is xred better than xangst?

Regards,
Dr. Siddheshwar chopra,
M.Sc., Ph.D (Physics)
Assistant Professor (Physics),
Amity University, Noida, India.
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Re: Need help regarding a sample i/p file

Postby Daniele Varsano » Sat Mar 01, 2014 1:40 pm

Dear Siddheshwar,
this is an abinit related question, try to post it in the abinit forum/mailing list.
Sorry, but I cannot help you on that.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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