fixcell

fixcell 3.48, by Axel van de Walle
  -d            Use all default values (Default: Off)
  -c            read and print cell in cartesian only (no axes specified) (Default: Off)
  -z=[real]     Tolerance for finding symmetry operations (default: 1e-3)
  -b            print bravais lattice type only and conventional (potentially not primitive) cell 
                     (Default: Off)
-sig=[int]      Number of significant digits to print in output files (Default: 6)


[email protected] Wed, Dec 6, 2023 12:55:16 PM