[Wien] quality FERMI surface

puday at iitk.ac.in puday at iitk.ac.in
Thu May 20 10:00:41 CEST 2010


Respected Sir,
I am using WIEN2K82 with operating system Linux.The purpose of my
calculation is to get quality FERMI surface.
I am running the BaFe2As2.struct using this input
Compound - BaFe2As2
Space Group I4/mmm
a=b= 3.909 A
c= 13.2122 A

As there is big difference in lattice constant between a and c so I am not
getting a quality fermi surface for this type of structures.

I am using xcrysden to get FERMI surface.I am using number of K points =
50000 as it automatically making kmesh grid as 36x36x36.

So please suggest me how do I get a good quality of fermi surface for this
type of structure using WIEN2K.

Regards,
Uday Bhanu Paramanik
Research scholar
c/o Dr. Zakir Hossain
Dept.of Physics
IIT Kanpur
India.


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