Re: [Wien] Is spaghetti_ene file necessary in order to do a wien2wannier calculation?

2018-01-10 Thread Oleg Rubel
For basic steps please see the tutorial (GaAs, sp3 bonding) on youtube: https://www.youtube.com/watch?v=R4c1YHDh3GE You need to plot the band structure before staring with Wannier functions, if you would like to compare it with the Wannier interpolated band structure later. I hope this will

[Wien] Is spaghetti_ene file necessary in order to do a wien2wannier calculation?

2018-01-10 Thread Sahra Sahraii
Dear wien2k developers and users, I am doing wien2wannier calculations. I just want to know which kind of wien2k calculation should be done as the starting point of wien2wannier run.whenever I do a band calculation at the first, I will get a subdir_band.dat fileĀ  at the end and I can compare