size of supercell

Message

Isha · #1 Post by **Isha** » Sat Nov 13, 2010 4:53 am

Hi all...........
I am a new vasp user. I want to know that how the size of super cell is chosen for a particular structure.

thanks .

alex · #2 Post by **alex** » Sat Nov 13, 2010 9:18 am

Hello Isha,

there is a lot of around; literature, tutorials, web stuff, even on the VASP site. Please use your brain and your mouse and you'll figure most of it out. Of course you are welcome with more specific questions.

Cheers,

alex

forsdan · #3 Post by **forsdan** » Sat Nov 13, 2010 11:05 am

@Isha : Please have a look in the manual for the POSCAR file

http://cms.mpi.univie.ac.at/vasp/vasp/POSCAR_file.html

You will have to enter all the atomic positions and supercell size explicitly. Also please have a look at the pdf-talks for examples, which are accessible from

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

Cheers,
/Dan

<span class='smallblacktext'>[ Edited Sat Nov 13 2010, 12:10PM ]</span>