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surface

Posted: Fri Oct 04, 2013 7:21 am
by jyoti
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!!!!!!!!!!

surface

Posted: Mon Oct 07, 2013 3:43 pm
by admin
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.