Topics

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 / 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.

4

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.

5

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.

6

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?