Re: [Wien] Query regarding space group of a 2*2*2 supercell

2020-02-25 Thread Abhijeet Jaysingrao Kale (P18PH001)
Abhijeet. On Mon, Feb 24, 2020 at 11:29 PM Abhijeet Jaysingrao Kale (P18PH001) < kal...@iitj.ac.in> wrote: > Dear WIEN2k Users, > > I am Abhijeet from IIT Jodhpur, India, using the WIEN2k_17.1 version. > Currently, I am studying A2BB'X6 material. For the same, it is require

[Wien] Query regarding space group of a 2*2*2 supercell

2020-02-24 Thread Abhijeet Jaysingrao Kale (P18PH001)
Dear WIEN2k Users, I am Abhijeet from IIT Jodhpur, India, using the WIEN2k_17.1 version. Currently, I am studying A2BB'X6 material. For the same, it is required to generate a 2*2*2 supercell. I want to substitute the B atom in A2BB'X6 by C. The desired doping percentage are 25% C, 50%C and 75%C.