[Wien] Questions about running WIEN2k with amorphous materials

2015-04-06 Thread YOOSOO YI
Dear all, I’m running WIEN2k 14.2 on CentOS 6.6, and it looks like there are no problems when I’m trying to calculate crystalline materials till now. I have some questions about how to use the WIEN2k package for the amorphous systems. Since I have used this program almost 5 years, I know that th

Re: [Wien] Questions about running WIEN2k with amorphous materials

2015-04-07 Thread Lyudmila Dobysheva
On 07.04.2015 10:47, YOOSOO YI wrote: The first question ... is it possible to calculate the electronic structures of amorphous silicate oxides using WIEN2k? ...if I make a sufficiently large super cell which is containing enough number of atoms that can ignore the boundary effect due to the peri