I assume that the atomic positions (including bond length and bond angle) would come from experiments such as XRD. We take these values (may be from journals where such results are published) and then map them into K space, to find the K-points/K-path along which the energy is calculated using quantum espresso or other tools.
I am new to XPS Data analysis, and I have a .sle file that I got out of XPS Machine Software, and I am using CasaXPS to analyse the data. This software takes only .vms files. I want to convert the .sle to a .vms file for analysis. How or where can I do this? Any help on this will be deeply appreciated.