<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">Hi Prof. Blaha and all Wien2k users</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class=""><br></pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">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:</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">--------------------------------------</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">'Current structure has lattice type R
Target lattice type will be H
Supercell generated successfully.'</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">--------------------------------------</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">Checking case_super.struct shows that Rhombohedral lattice has been changed to a 3x larger Hexagonal cell!</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">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).</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">1. I want to know is it really my rhombohedral crystal that has been made 3x larger?</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">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?</pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class=""><br></pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6000003814697px;" id="yui_3_16_0_1_1434538281978_2552" class="">Thank you so much</pre><div class="" style="" id="yui_3_16_0_1_1434538281978_2636"><br class="" style=""></div></div></body></html>