i want to calculate some properties of solid and surfaces. i am exerienced in cluster, but have no idea about solids and surface....can anyone give some hints to what to do(i guess ,poscar shld be different but not quite sure)and how to do?:(
if some1 send an example, i ll be greatful B)
solid
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solid
you find some paradigm examples for inputs to calculate solids and surfaces in the handbook and in the excercies of the vasp-workshop. (http://cms.mpi.univie.ac.at/vasp-workshop), Handson[1-4].tgz
please especially observe the concepts of periodically repeated cells, due to the (3D or 2D) translation symmetry of bulk solids and surfaces.
please especially observe the concepts of periodically repeated cells, due to the (3D or 2D) translation symmetry of bulk solids and surfaces.
Last edited by admin on Thu Mar 08, 2007 9:50 am, edited 1 time in total.