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@yahoo.comafiz...@docomo.ne.jp080 4331 1901
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