Hello
I am quite new in using VASP,
and I wonder if any one can provide me an example with the information
to create the POSCAR file for the Ag(111) structure.
Any recoemendation about which GUI for vasp can work better to make similar
strucutres? Is any of the GUI free and working on Unix-Linux systems?
Many thanks
Oscar
Ag(111) structrure for POSCAR
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Oscar_rp
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Ag(111) structrure for POSCAR
Last edited by Oscar_rp on Fri Jun 06, 2008 12:52 pm, edited 1 time in total.
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admin
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Ag(111) structrure for POSCAR
for an example of the 111 surface of an fcc metal (Ni 1x1-cell, 5 layers + ca 12Ã… of vacuum), please have a look at the vasp-workshop excesises Nr. 3: you can download all inputs (including the POSCAR files) from our website (http://cms.mpi.univie.ac.at/vasp-workshop) example (.tgz) files of excercise session 3.
you will have to modify the overall lattice constant (3.53 for Ni) in the second line of POSCAR and, if requested, extend the 1x1 supercell to a larger one (change the Bravais Matrix and add the requested atomic positions).
you will have to modify the overall lattice constant (3.53 for Ni) in the second line of POSCAR and, if requested, extend the 1x1 supercell to a larger one (change the Bravais Matrix and add the requested atomic positions).
Last edited by admin on Mon Jun 09, 2008 1:45 pm, edited 1 time in total.