Need help regarding a sample i/p file
Posted: 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,
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,