surface

Message

jyoti · #1 Post by **jyoti** » Fri Oct 04, 2013 7:21 am

hello
by VESTa , i know to create bulk poscar .... but i donot know how to create surface poscar ....pls can anyone help me how to create poscar file for surface calculation using VESTA?
if anyone know that about the surface poscar ,pls suggest me and guide me ,how to create it ..plsssssssssssssssss ,thanks in advance!!!!!!!!!!

#2 Post by **admin** » Mon Oct 07, 2013 3:43 pm

In existing POSCAR make one lattice vector longer. This way a vacuum layer is created. Atomic positions must be in cartesian coordinates - these are available in OUTCAR.