[Wien] Need help ; band structure in super cell.

Youngboem Cho jj2928 at naver.com
Tue Aug 25 13:26:21 CEST 2015


Dear all.

Hi. i'm a newbie to WIEN2k. i'm a college student majoring in electronic 
engineering.
I purchased a new computer to use WIEN2k effectively. ;8 core CPU and 
64Gb memory.
I've been interested in band structures. nowadays, i'm totally hooked on 
alloy.
but, i encountered a barrier. it appeared when i just finished 
calculating supercell(2x2x2) structure to get about 2% alloy and then 
after saw band structure.
i've been waited for many days to see my alloy structure's band 
structure. but result was full of needless informations to me. maybe my 
computer devoted himself solving those unnecessary things.
i just want to know whether my structure is indirect or direct bandgap 
material,band gap energy, effective mass of HH,LH and so on.
how can i get simple band structure(less band indexes) from supercell ?
can i get simple band structure from super cell like other 1x1x1 structures?
i want to get band structure from single atom to alloy and compare with 
each others.
are there any effective ways to do it? i feel like i'm an electron 
confined in potential well. i hope that potential to be finite. need help.
thanks for reading my writing!

sincerely Youngboem Cho.








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