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File formats
The currently accepted file formats are files with these endings:
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tb, sisl file format for geometry/tight-binding models in pure ASCII format.
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xyz, standard coordinate format
NOTE that sisl uses the comment field in the xyz file to store the unit-cell. Hence, unit-cell sizes are preserved in xyz files read/generated by sisl.
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nc, reads/writes NetCDF4 files created by SIESTA.
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TBT.nc/PHT.nc, reads NetCDF4 files created by TBtrans/PHtrans.
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fdf, SIESTA native input file format.
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XV, SIESTA native coordinate format for MD re-runs.
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POSCAR/CONTCAR, VASP coordinate format.
NOTE the current implementation does not contain atomic species, i.e. the returned geometry is made of Hydrogen atoms.
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gout, reads geometries from GULP output
NOTE that sisl currently does not implement writing GULP input files.
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ascii, reads geometries from BigDFT ascii input files.