hOW isVASP surface simulations, calculations

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cangunaltay · #1 Post by **cangunaltay** » Sun Oct 03, 2010 10:19 pm

Dear VASP forum and admin;
First, I apologize to you for my english.
my english is very bad. but, at the same time i have a problem.

i want to analysis Si(111) clean surface or adsorbed gorup IV on Si(111) elements by using VASP.
Can you learn to me step by step processes?

1. lattice constant calculations
contents of incar,
contents of kpoints etc.
2. build atomic structure
primitive cell
unit cell
stack factor and export parameters
supercell (vacuum, how make build?)
etc.
3. band calculations
contents of:
incar
poscar (fcc)
kpoints

4. projected band graph
contents of:
incar
poscar
kpoints
etc.

5. DOS calculations

6. Charge calculations

or give me a link of tutorial of this material.
thank you.

giacomo giorgi · #2 Post by **giacomo giorgi** » Mon Oct 04, 2010 2:33 am

Dear Cangunaltay,

try at this website. There is step-by-step the standard procedure for studying all the cases with VASP, including, of course, the part related to surfaces

http://cms.mpi.univie.ac.at/vasp-workshop/

I hope it helps you!
Good luck for your analysis!

Giacomo

metosa · #3 Post by **metosa** » Mon Oct 04, 2010 10:15 am

Altay is a Turkish name.

Can you speak turkish ?

If so, I can provide you a very detailed vasp-tutorial partly in Turkish, if you want ....

cangunaltay · #4 Post by **cangunaltay** » Mon Oct 04, 2010 8:33 pm

thanks Giacomo and metosa. i'll check over link.
Dear metosa
i'm Turkish. if you can send to file or link, i'm pleased with your helps. otherwise, so sorry my english. Thank you very much...
Sincerely