Create Elf Plots

Jacob's Notebook

  • Move the ELF output from Abinit (e.g. mz12207o_ELF) to your home on
  • In the directory where you want to create the ELF.xsf file run cut3d with the command /packages/abinit_u10/bin/cut3d
  • You will be prompted for the name of the ELF file (e.g. mz12207o_ELF)
  • Next enter 1 for unformatted binary header
  • Enter 9 for .xsf file format
  • Enter an appropriate output name (e.g. mz12207elf.xsf)
  • Enter n to not shift the grid, and 0 to end the program
  • You can then use Tunnelier to get the .xsf file onto a computer with Vesta.
  • Open the .xsf file with Vesta, adjust the isosurface value to 0.96, and make all the bonds and atoms look good.
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