[Pw_forum] homo lumo calculations

[Muhammad Adnan]

thanks for response.
i would like to calculate shape and energy of HOMO LUMO

Adnan
UFJF. Brazil

On Fri, Nov 7, 2014 at 5:24 PM, xiaochuan Ge <ustc.scgyer at gmail.com> wrote:

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