Name: X-window Crystalline and Structure Densities (XCrySDen) Structure Format
Extension: xsf
Specification: XCrySDen documentation
Visualization programs: VESTA, VMD, XCrySDen
Atomsk can read both periodic and molecular structures written in XSF format (see specification). For molecular XSF, since it contains no cell parameter Atomsk will try to automatically create a bounding box (this is identical to the option -rebox). Alternatively one can use the option -properties to set up the supercell parameters. If forces are present in the file, Atomsk will also read them.
When writing to XSF format Atomsk assumes periodic structure. If auxiliary properties exist, then only the forces (fx, fy, fz) are written.
If the file is an animated XSF file (which contains several snapshots) then only the first snapshot will be read and converted. To convert all the snapshots one can use the mode one-in-all. To create an animated XSF file one can use the mode all-in-one.
atomsk system.xsf POSCAR
This will read the XSF file system.xsf, and convert it to the file POSCAR.
atomsk initial.cfg final.xsf
This will read the file initial.cfg, and convert it to the file final.xsf.
atomsk --all-in-one myfiles.lst animation.xsf
This will read all the files specified in the list myfiles.lst, and output all snapshots in the animated XSF file animation.xsf.
atomsk --one-in-all animation.xsf cfg
This will read the animated XSF file animation.xsf, and output each snapshot in a separate file with the CFG format: animation_1.cfg, animation_2.cfg, etc.