As far as I know, it is not possible to calculate a single Ni atom
having no crystal structure (no lattice parameters/spacegroup) with
WIEN2k, because WIEN2k is a 'periodic' structure code. I think you must
have a lattice parameter to describe the distance between atoms (the
periodicity of the
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)
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