[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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