[Wien] Questions about the input file of LAPW1 (case.in1c)

Dear all, Recently, I had sent a mail about a failure of calculations in the first step of SCF cycle. I had solved the problem by changing a procedure for preparing case.struct file according to User Guide, FAQ page, and reply of my previous questions. Now, I have another question about the use

[Wien] Questions about running WIEN2k with amorphous materials

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

[Wien] Question about the SCISSORS operation on the calculated density of states

Dear all, I have a simple question about applying the SCISSORS operation to the density of states (DOS). I have calculated the density of states for relatively simple Mg-silicates in crystalline phases. After that I tried to find a way to apply the SCISSORS operation to the calculated DOS, i.e.