mj299792

Hi Dr. Wu, Thanks for answering. I used the same parameters as in your Bi2Se3 example. The same primitive cell, same frozen and outer windows in wannier90 and tried to...

Hi Dr. Wu, Thanks for your help. Now I have the correct result for Bi2Se3. It needs some trick for building a shifted unit cell by using Wien2K. I tried...

Hi Hemmnepal, I still only have correct results of Bi2Se3. For other structure like PbPd3, I didn't figure it out.

Hi Hemnepal, In Wien2K, we can't just shift the lattice for calculation, because it will find the symmetry by itself and asked to shift back. What I did is build...