[Pw_forum] Could the TDDFT be used to calculate the inorganic semiconductor?

shuai zhao-shuai at edu.life.kyutech.ac.jp
Fri Jul 4 03:17:51 CEST 2014


Dear all,

I'm a newbie and trying to calculate the optical property of inorganic 
semiconductor.
I noticed that the epsilon.x code could be used to the dielectric 
function, but doesn't implement in USPP. According to the previous 
advices in this forum, the TDDFT code would be an alternative. But I 
found from the publications that the TDDFT is commonly used to molecules 
(such as organic dyes).
So I wonder the TDDFT code can be used to calculate the inorganic 
semiconductor?

Thanks in advance.

Shuai

-- 
Graduate student
Graduate School of Life Science and Systems Engineering
Kyushu Institute of Technology, Japan




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