Messages

1

General Questions and Answers / Graphic Instructor plotting problem

« on: May 13, 2018, 12:59 »

Dear Users : I am new user of graphic instructor I have used graphic instructor to plot  projected band structure. I s there any way we can sum up contribution of p-orbitals and then plot? If we want to export data how can we plot ?please explain the output data format.secondly can we edit x and y axis label text size?

2

General Questions and Answers / How to roll Two dimensional structure in nanotubes

« on: January 12, 2018, 19:02 »

Dear users
I want to roll the attached structure in zigzag configuration following the steps as explained in example tutorial of MoS2. But in zigzag configuration its not working. Secondly I also wants to roll the tube in xy and y-directions.please suggest the solution.please change the extension from zip to cif .

3

General Questions and Answers / How to analyze Bandstructure

« on: September 14, 2017, 06:53 »

Dear Users
I am new user of ATK .I want to analyze the band structure.I have performed the calculations using  vasp. Please explain the procedure  in detail which file I have to import?

4

General Questions and Answers / Publication on academic lisence

« on: November 19, 2016, 08:11 »

Dear Users
Can we publish our article using academic license which is free?

5

General Questions and Answers / Vasp scrip Problem

« on: November 19, 2016, 08:05 »

Dear Users
In recent version 2016 ATK vasp script tap is not visible in custom script after installing plugin .Please any solution.

6

General Questions and Answers / How to calculate electron mobility

« on: May 4, 2016, 15:01 »

Dear Users
I am using CASTEP or VASP .I have output file of bandstructure in csv or excel format.I wants to calculate the effective mass and electron mobility.Please suggest the way.I am using VNL -2015version.
Thanks in advance

7

General Questions and Answers / Formation of MoS2 Tube in new ATK -2015.1

« on: February 21, 2016, 07:40 »

Dear ATK Users
I wants to construct Mo2S nanotube on new ATK-2015.1 ,I am following th tutorial given in the link but when I want to create the hexagonal cell to orthorhombic cell,I am unable to get desire results using the values of A & B given in tutorial.

ftp://http://docs.quantumwise.com/tutorials/mos2_cnt.html?highlight=mos2%20nanotube

Thanks in Advance
Abdul