Two helpful CASTEP scripts

conv_check.pl - extracts stress, force and energy
                .castep file for doing k-point
                and cutoff convergence testing
setup_eos.pl  - sets up a set of .cell files (and
                links .param and .usp files) for
                runs to determine static EOS. Also
                creates HECToR submit file for
                mass submission.
More CASTEP tools

castep2txt     - read a bunch of .castep files and
                 create other formats, notibly .cif
measure_O3O3O3 - read a .cif file and calculate angle
                 along tet chain in diopside
measure_bonds  - read a .cif file and do lots of bond
                 length and polyhederal distortion analisis
                 (set up for diopside)
parsecif       - turn .cif file into latex table.
Updates for jadeite
Merge branch 'master' of github.com:andreww/cpx_scripts