[Pw_forum] Fwd: how to calculation absorpation light in the quantum espresso

[Giuseppe Mattioli]

Dear Ali
I'm afraid you ask a lot of questions, some of them very basic ones.  
They would require very long explanations which you will unlikely  
found here. So my first advice is: ask your supervisor or a skilled  
colleague. If you cannot do that, then you should carefully study  
theoretical/computational literature on hybrid perovskites (you should  
be aware, for example, of the strong relativistic effects that make  
the theoretical investigation of optical properties quite complex),  
quantum espresso tutorials (they would teach you that the basis set  
convergence depends on pseudopotentials, not on systems in which they  
are used) and code examples coming with the QE distribution.
Then you can ask here *specific* questions (I performed this  
calculation using this input and the code stopped and complained  
with/without an explicit error message).
HTH
Giuseppe

Quoting ali mehdizadeh <ali.mehdizadeh.physics1992 at gmail.com>:

> ---------- Forwarded message ----------
> From: ali mehdizadeh <ali.mehdizadeh.physics1992 at gmail.com>
> Date: Tue, May 23, 2017 at 3:51 AM
> Subject: [Pw_forum] how to calculation absorpation light in the quantum
> espresso
> To: pw_forum at pwscf.org
>
>
> Hello
> I want to calculate absorpation light for perovskite. so how do not
> apsorpation calculated in the quantum espresso package .if using tddft
>  pakage or other package and how calculation.


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    Giuseppe Mattioli
    CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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