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

[H.Y Geoffrey Tse]

Dear Shuai,

Could you not use the norm-conserving pseudopotential 
in calculating optical properties with epsilon.x instead?

Geoffrey
Peking University

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of shuai
Sent: 04 July 2014 09:18
To: PWSCF Forum
Subject: [Pw_forum] Could the TDDFT be used to calculate the inorganic
semiconductor?

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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