[Wien] making supercell for a Rhombohedral crystal

Hajar Nejati hajar.nejatipoor at yahoo.com
Wed Jun 17 13:15:54 CEST 2015

Hi Prof. Blaha and all Wien2k users
I have a rhombohedral crystal with sg 166(R-3m). For ELNES calculations, I need to make a supercell with dimensions 2*2*2. When I separate positions atom-by-atom,and then test "x supercell", a massage appears including:--------------------------------------'Current structure has lattice type R
 Target lattice type will be H
 Supercell generated successfully.'--------------------------------------Checking case_super.struct shows that Rhombohedral lattice has been changed to a 3x larger Hexagonal cell!I stamped one atom for ELNES calculations and then execute "init_lapw". After some warnings in nn and making new structures, finally I get a struct that belongs to hexagonal symmetries (with sg P3m1).1. I want to know is it really my rhombohedral crystal that has been made 3x larger?2. I need to make some supercells like 2*2*2, 2*2*1 and 3*3*2 for comparing their ELNES spectra. How can I reach them?
Thank you so much
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