Messages

1

General Questions and Answers / Datat for absorption coefficent and relflectivity

« on: November 10, 2017, 09:25 »

Dar Sir/mam

I am engage in finding different optical constant from dielectric constant calculated by ATK. Although there are some python script available to generate graph of these optical constant,  but I am looking for the data so that I can use other software for better presentation.

Thanks

2

Installation and License Questions / Academic License not working

« on: August 26, 2016, 15:28 »

I downloaded and installed free VNL, before this I got license file from Quantum-wise upon providing them my email ID and the system mac ID on which I want to install free VNL. I used command chmode +x  ./VNL-ATK-2016.0-Linux64.bin, followed this used ./VNL-ATK-2016.0-Linux64.bin to installed the setup. Installation completed and I got logo of VNL on my desktop, but while clicking on logo are not getting any response. I put the license file in folder license and try to get through command lmx-serv -l ............lic also but still its doesnt work. Plz guide me in installation. I am working on Linux REDHAT

3

General Questions and Answers / Bond population

« on: March 20, 2015, 16:33 »

Can ATK produce bond population? As in Gaussian03 we can calculate it via NBO analysis,  giving particular bond has particular electronic population. If it than how?

4

General Questions and Answers / BandStructure Calculations

« on: March 18, 2015, 08:47 »

Dear All

I want to calculate blue phospherene bandstructure but is unable to select Γ, M, K, Γ path for brillouin zone integration. The version I am using is ATK-11.8.1  and the option provided by  tool is  X, Y, G ,Z.  Please do me favor to resolve this issue.