Create Elf Plots
- Move the ELF output from Abinit (e.g. mz12207o_ELF) to your home on kinsc-cluster.haverford.edu
- 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.
page revision: 0, last edited: 30 May 2012 15:46