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Re^2: Calculation of dielectric constant at Freq= 1KHz.. Help needed.

Siddheshwar Chopra
sidhusai@gmail.com


Dear Alex,
Please find attached the new output file.. Please tell me about the calculation of dielectric constant.

Kind Regards,

On Tue Jul 21 '15 4:56pm, Alex Granovsky wrote
----------------------------------------------
>Hello,

>your input structure is invalid. The terminal C atoms should be properly terminated.

>Regards,
>Alex Granovsky
>
>
>On Tue Jul 14 '15 8:41am, Siddheshwar Chopra wrote
>--------------------------------------------------
>>Dear Users,
>>This is the very first time that I have tried finding the dielectric constant using FIREFLY.. I have attached an output file for your reference. I wanted to find the dielectric constant at Frequency=1 KHz. For the same, I have added "1.519835E-13" to the Freq(1) array. I would be really grateful if you all can help me understand HOW to calculate the dielectric constant from the o/p file.
>>Also, as you can see, I have used classical calculations here.
>>In addition, I request Alex Sir to tell the Frequency range (in KHz) in which we can find the dielectric constant..
>>
>>
>>Kind Regards,

This message contains the 4168 kb attachment
[ sample_7.out ]


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