cif2cell(1) on Linux
The text 3e1d1a0a39df, as Debian 12 (Bookworm) shipped it.
prepare CIF files for electronic structure calculations
Flags it lists
-
--abinit-braces -
--append -
--block -
--body-centred-setting -
--cartesian -
--castep-atomic-units -
--castep-cartesian -
--cellgen-map -
--cellgen-reference-vector -
--cellgen-supercell-dimensions -
--coordinate-tolerance -
--cpmd-cutoff -
--crystal09-rhombohedral-setting -
--cubic-diagonal-z -
--emto-hard-sphere-radii -
--export-cif-labels -
--fhi-aims-cartesian -
--file -
--force -
--force-alloy -
--grammar -
--help -
--k-resolution -
--mopac-first-line -
--mopac-freeze-structure -
--mopac-second-line -
--mopac-third-line -
--no-reduce -
--outputfile -
--print-atomic-units -
--print-cartesian -
--print-charge-state -
--print-digits -
--print-oxidation-numbers -
--print-reference-bibtex -
--print-seitz-matrices -
--print-symmetry-operations -
--program -
--pwscf-alat-units -
--pwscf-atomic-units -
--pwscf-cartesian -
--pwscf-cartesian-latticevectors -
--pwscf-cartesian-positions -
--pwscf-pseudostring -
--quiet -
--random-displacements -
--random-displacements-distribution -
--rhombohedral-diagonal -
--rspt-cartesian-latticevectors -
--rspt-mtradii -
--rspt-new -
--rspt-no-spin -
--rspt-pass-wyckoff -
--rspt-relativistic -
--rspt-spinaxis -
--rspt-spinpol -
--setup-all -
--spacegroup-supercell -
--sprkkr-minangmom -
--supercell -
--supercell-dimensions -
--supercell-postvacuum-translation -
--supercell-prevacuum-translation -
--supercell-realign -
--supercell-sort -
--supercell-translation-vector -
--supercell-vacuum -
--surface-wizard -
--transform-cell -
--vasp-cartesian -
--vasp-cartesian-lattice-vectors -
--vasp-cartesian-positions -
--vasp-encutfac -
--vasp-format -
--vasp-print-species -
--vasp-pseudo-libdr -
--vasp-pseudo-priority -
--vasp-selective-dynamics -
--vca -
--verbose -
--version -
--which-filename -
--xyz-atomic-units -
-a -
-b -
-f -
-h -
-o -
-p -
-q -
-v