[Pw_forum] homo lumo calculations

[xiaochuan Ge]

Dear afnan,
What kind of analysis you would like to do? Calculate their energy? Dipole
moment? Plot their shape?

On Friday, November 7, 2014, Muhammad Adnan <adnansaqlain at gmail.com> wrote:

> Hi everyone
> i am a beginner of Q_Espresso. i need help of forum members.
> can any guide me how can i do HOMO and LUMO analysis of my system?
> what keywords need to be specified in PP.x post processing.
> need proper guidance
>
> Adnan
> doctoral student
> UFJF, Brazil
>


-- 
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Dr. Xiaochuan Ge (Giovanni)
Center for Functional Nanomaterials
Brookhaven national laboratory
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