[Wien] nickel nanoparticles DOS calculation

[Nik Afiza Mohd Mran]

Hi,
   
   - 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.
   - 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.
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.How do I calculate the structure with no lattice parameters/spacegroups?
Details for my model:Nickel (1 atom), z: 28, atomic radius: 1.25 amstrong, x: 0.0 y: 0.0 z:0.0 no space group. just 1 atom.
Hope anybody could help me with this calculation.Thank you.
 ~hasbunallahu wa nikmal wakil~
NIK AFIZA BINTI MOHAMAD MRANGraduate School of Life SciencesRitsumeikan University, Shiga Japannicks_eve at yahoo.comafiza88@docomo.ne.jp080 4331 1901
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