Messages

1

General Questions and Answers / Wrong result as per theoretical formula

« on: April 5, 2017, 16:17 »

Hello to all,

I am working on Cubical material and trying to find out elastic constants . As per formula available in different papers, I correctly found bulk and shear moduli which also matches with simulation results. But Young's modulus, I am getting wrong. As per theory, the formula is (Y=9BG/G+3B). When I am putting data's in this, getting wrong results. Any one knows any other formula or Whether quantumwise uses some other formula???

2

General Questions and Answers / How to calculate Loss function???

« on: January 29, 2017, 05:41 »

How can I calculate Loss function?anyone having any idea???Anyone having python code???

3

General Questions and Answers / Re: How to calculate Refractive index, Absorption coefficient from Dielectric values

« on: January 24, 2017, 09:44 »

I hv saw this doc.But nothing given regarding Refractive index and absorption coefficient...little analysis should be written like for dielectric graph, it was written. please, tell, how much refractive index of silicon from the graph?I am not getting that.

4

General Questions and Answers / How to calculate Refractive index, Absorption coefficient from Dielectric values

« on: January 24, 2017, 06:05 »

Hello to all,

I am new user of ATK .

I need to find out Refractive Index, Absorption coefficient, loss function from dielectric data's?How can I find ?Let's take ZZ axis values of optical spectrum data?

Plz need ur help.

5

Installation and License Questions / Anyone having Gallium Nitride CIF file???Plz send me...

« on: September 26, 2016, 08:39 »

Anyone having Gallium Nitride crystallographic Information file.Plz send me.

6

General Questions and Answers / Re: Extracting the hamiltonian for an unit cell of a Nanowire

« on: September 23, 2016, 13:22 »

I think, we can also build nanowire by surface cleve in a arbitrary direction...

7

General Questions and Answers / How to analyze a Optical Spectrum graph?

« on: September 23, 2016, 09:00 »

hello,
I have uploaded a InAs nanowire optical spectrum having orientation of 100 and cluster radius of 5A and surface potentials all are 1 eV. How to analyze these graphs?

Thank u.

8

General Questions and Answers / DOS and PDOS

« on: July 4, 2016, 15:59 »

Hello to all,
I am debashish from NIT Silchar.

Can anyone elaborate , what is DOS and PDOS???How to analyze both in ATK?