Hi All,

I know that wich .check file contains the numerical output of a CASTEP job in binary format and stores electronic wavefunctions in addition to all other information (calculation parameters, structure, electron density, electronic, and vibrational properties). However, I don't know how to acess the wave fuction data in the binary file.

Is it possible? Is there any software/package that reads the file data in the .check file?

Regards,

Francisco