Dear users I want to ask some trivial questions.Kindly help me out. 1) How to represent an slab structure as xcrysden only shows one unit cell/supercell.(kindly note that i have never used octave rather i dont know how to use it). 2) Whenever I make supercell, Should I use sample.struct file which have been made after all calculations (init_lapw & run_lapw etc. and include rotation matrix,symmetry operations etc.)) or should i make a fresh *.struct file first (using cif etc.) 3) How to select k-points in case of slab calculations.
Thanking you Regards Mohit
