How I mention different atomic species in INCAR and POSCAR?
Posted: Fri Jun 22, 2007 8:15 am
Hi all,
I am new user of Vasp. I am having one crystal structure that consists of 3 different species of atoms. So how can I mention these 3 atoms in INCAR and POSCAR file?
Please tell me is their any example file is available or not.
Waiting for reply.
aniket
I am new user of Vasp. I am having one crystal structure that consists of 3 different species of atoms. So how can I mention these 3 atoms in INCAR and POSCAR file?
Please tell me is their any example file is available or not.
Waiting for reply.
aniket