<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1421901668280_13628" dir="ltr"><span>Hi,</span></div><div id="yui_3_16_0_1_1421901668280_13628" dir="ltr"><span><br></span></div><ul style="font-family: Helvetica, Arial, sans-serif;" class="" id="yui_3_16_0_1_1421901668280_13671" dir="ltr"><li style="font-size: 12pt;" class="" id="yui_3_16_0_1_1421901668280_13670">I am running wien version 14.2 (WIEN2k_14.2) on a machine of type LINUX with operating system Ubuntu 14.040, fortran compiler gfortran and math libraries MKL.</li><li style="font-size: 12pt;" class="" id="yui_3_16_0_1_1421901668280_13672">The purpose of my calculations is to get density of states for nickel nanoparticles starting from simple nickel 1 (Ni1) atom, to a bulk structure.</li></ul><div dir="ltr" id="yui_3_16_0_1_1421901668280_13702"><font face="Helvetica, Arial, sans-serif" id="yui_3_16_0_1_1421901668280_13701">I calculated nickel crystal structure, generated struct file from nickel cif file. But actually i need to calculate simple nickel atom with 1 atom, not a crystal structure.</font></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13704"><font face="Helvetica, Arial, sans-serif" id="yui_3_16_0_1_1421901668280_13703">How do I calculate the structure with no lattice parameters/spacegroups?</font></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13705"><font face="Helvetica, Arial, sans-serif"><br></font></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13706"><font face="Helvetica, Arial, sans-serif" id="yui_3_16_0_1_1421901668280_13715">Details for my model:</font></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13708"><font face="Helvetica, Arial, sans-serif" id="yui_3_16_0_1_1421901668280_13707">Nickel (1 atom), z: 28, atomic radius: 1.25 amstrong, x: 0.0 y: 0.0 z:0.0</font></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13709"> no space group. just 1 atom.</div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13710"><br></div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13711">Hope anybody could help me with this calculation.</div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13712">Thank you.</div><div dir="ltr" id="yui_3_16_0_1_1421901668280_13713"><br></div><div></div><div id="yui_3_16_0_1_1421901668280_13629"> </div><div class="signature" id="yui_3_16_0_1_1421901668280_13585"><div id="yui_3_16_0_1_1421901668280_13596"><div id="yui_3_16_0_1_1421901668280_13661"><i id="yui_3_16_0_1_1421901668280_13662">~hasbunallahu wa nikmal wakil~</i><br><hr style="color:rgb(0, 128, 255);" id="yui_3_16_0_1_1421901668280_13730"></div><span style="color:rgb(0, 128, 255);"><font class="Apple-style-span" face="verdana, helvetica, sans-serif"></font></span><font class="Apple-style-span" face="garamond, 'new york', times, serif" id="yui_3_16_0_1_1421901668280_13595"><span style="font-size:16px;" id="yui_3_16_0_1_1421901668280_13594">NIK AFIZA BINTI MOHAMAD MRAN</span></font></div><div id="yui_3_16_0_1_1421901668280_13593"><font class="Apple-style-span" face="garamond, 'new york', times, serif" style="font-size:16px;" id="yui_3_16_0_1_1421901668280_13592">Graduate School of Life Sciences</font></div><div style="font-family:garamond, times, serif;" id="yui_3_16_0_1_1421901668280_13591"><font class="Apple-style-span" face="garamond, 'new york', times, serif" style="font-size:16px;" id="yui_3_16_0_1_1421901668280_13590">Ritsumeikan University, Shiga Japan</font></div><div id="yui_3_16_0_1_1421901668280_13584"><div id="yui_3_16_0_1_1421901668280_13589"><font class="Apple-style-span" face="garamond, 'new york', times, serif" style="font-size:16px;" id="yui_3_16_0_1_1421901668280_13588">nicks_eve@yahoo.com</font></div><div id="yui_3_16_0_1_1421901668280_13587"><font class="Apple-style-span" face="garamond, 'new york', times, serif" style="font-size:16px;" id="yui_3_16_0_1_1421901668280_13586">afiza88@docomo.ne.jp</font></div><div id="yui_3_16_0_1_1421901668280_13583"><span style="font-family:garamond, times, serif;font-size:medium;" id="yui_3_16_0_1_1421901668280_13658">080 4331 1901</span><br></div></div></div></div></body></html>