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

Sahra Sahraii sahraii1900 at yahoo.com
Wed Jan 10 16:32:37 CET 2018


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 file  at the end and I can compare the band from wien2wannier and the one derived from wien2k calculation.


whenever I do not  do a band calculation (just do a scf calculation) I wont get subdir_band.dat at the end. Does wien2wannier need the subdir.spaghetti_ene  and also subdir.klist_band  files in order to build the subdir _band.dat file?
Best RegardsSahraii
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