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,
Need help regarding a sample i/p file
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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schopra1980
- Posts: 7
- Joined: Tue Jan 21, 2014 9:51 am
Need help regarding a sample i/p file
Dr. Siddheshwar chopra,
M.Sc., Ph.D (Physics)
Assistant Professor (Physics),
Amity University, Noida, India.
M.Sc., Ph.D (Physics)
Assistant Professor (Physics),
Amity University, Noida, India.
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Daniele Varsano
- Posts: 4231
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Need help regarding a sample i/p file
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
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/
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/