326

How i remove the fluctuations in DOS graph

Posted on : March 12, 2018 (Mon) 02:43:43

by fati

Dear KKR Administrator,

I noticed the existence of a lot of fluctuations when i draw the graph and the Lack of vacant sites.
This the input:
# now # can be used as comment lines as well
#--------------------------------------------
dos data/CoMnTiSi fcc 10.828129914557,1.0,1.0,90.0,90.0,90.0,
0.001 1.8 sra vwn mag 2nd
update 5 150 0.020
4
#--------------------------------------------
# name of type, number of components, rtr,
# field, lmax, atomic number, concentration
#--------------------------------------------
CoMn 2 0 0.0 2 27 96
25 4
MnCo 2 0 0.0 2 25 96
27 4
Ti 1 0 0.0 2 22 100
Si 1 0 0.0 2 14 100
4
0 0 0 CoMn
1/2 1/2 1/2 MnCo
1/4 1/4 1/4 Ti
3/4 3/4 3/4 Si

I want also your help to repeat the graphs of an article.
This the link of this article:
https://www.nature.com/articles/srep42034