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===1. Convert POSCAR/CONTCAR to *.xsf=== In order to use this tool, you will need the program v2xsf. Find attached here [[Image:Xcrysden.tgz]] or here [[https://nano.tu-dresden.de/~jkunstmann/software.html]]. First, put v2xsf in your /home/bin/ folder and make it executable (chmod +x v2xsf). Then, put all your CONTCAR/POSCAR in the same folder with the extension *.vasp and execute the following command in a terminal: for j in `ls *.vasp` ; do v2xsf $j ; done If you are working with surfaces, you may want to eliminate the bottom layer before that. This example is for (111) metals with 2sqrt(3)Γ2sqrt(3) symmetry. for j in `ls *.vasp` ; do sed -i "7s/48/36/g" $j ; sed -i "10,21d" $j ; done
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