[Octopus-users] Negative absorption co-efficient in TD run

[Juzar Thingna]

Hi Xavier,
I'm calculating the absorption spectra of Si3H3. The propagation time
tmax=30 with a time step of 0.002. The strength of the laser kick is 0.005.
The negative value of the peak is around 7eV with a value of ~-0.2 with the
maximum peak around 1.4.
Hope this information helps.

Regards,
Juzar

On Mon, Nov 16, 2009 at 7:51 PM, Xavier Andrade <xavier at tddft.org> wrote:

> Hi Juzar,
>
> Can you give us more details? What are calculating? What is the propagation
> time? How negative is the absorption?
>
> Cheers,
>
> Xavier
>
> On Mon, 16 Nov 2009, Juzar Thingna wrote:
>
>  Hello Everyone,
>> I'm performing some TD calculations but when I plot the absorption spectra
>> from the TD run I get negative values of the absorption co-efficient.
>> Please
>> can someone explain to me, why this is happening?
>>
>> Regards,
>> Juzar
>>
>> --
>> "At the end of all our searching we will arrive at the place we began and
>> know it for the first time."
>>
>>
>>


-- 
"At the end of all our searching we will arrive at the place we began and
know it for the first time."
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.tddft.org/pipermail/octopus-users/attachments/20091116/287f40db/attachment.html