Desire to know as I can generate the positions of the atomos for the POSCAR (in the VASP), if desire to describe surfaces FCC(111) and FCC(100), not if there is some program that me can facilitate.
Thanks %-6 x)
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Arles V. Gil Rebaza
Lab. de Ciencias de Superficies y Medios Porosos
Departamento de FÃsica
Universidad Nacional de San Luis
Chacabuco 917
D5700BWS San Luis - Argentina
Position in the POSCAR
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arlesv
Position in the POSCAR
Last edited by arlesv on Wed Mar 29, 2006 11:38 pm, edited 1 time in total.
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admin
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Position in the POSCAR
for 1x1 fcc (001) and (111) surfaces, you can find examples for POSCAR in the VASP -workshop excercises: (Handson3.tgz of
http://cms.mpi.univie.ac.at/vasp-workshop)
http://cms.mpi.univie.ac.at/vasp-workshop)
Last edited by admin on Tue Apr 11, 2006 1:03 pm, edited 1 time in total.
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ezaztaw
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Position in the POSCAR
[quote="admin"]for 1x1 fcc (001) and (111) surfaces, you can find examples for POSCAR in the VASP -workshop excercises: (Handson3.tgz of
http://cms.mpi.univie.ac.at/vasp-workshop)[/quote]
I am trying to understand the math of selecting the lattice direction of the unit cell and the co-ordinates of the atoms. If somebody can explain how it is done in this examples of (001) and (111) that will be a great help.
http://cms.mpi.univie.ac.at/vasp-workshop)[/quote]
I am trying to understand the math of selecting the lattice direction of the unit cell and the co-ordinates of the atoms. If somebody can explain how it is done in this examples of (001) and (111) that will be a great help.
Last edited by ezaztaw on Wed Feb 10, 2010 2:51 am, edited 1 time in total.