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Hello!

Is there a way to obtain an output of the full wavefunction, including the augmented part from a PAW calculations, either in real or G-space?
We want to post process these wavefunctions with our screened Coulomb/Exchange integral code.
We know about the WAVECAR file but that has only the plane wave part.
Your help would be much appreciated!

Dear sumanti_patra,

The wave functions can be written to vaspwave.h5 file if you have compiled VASP with HDF5 support. However, I am not sure if there is an option to write down the full wave function.

While I look into this I would suggest that you compile VASP with HDF5 support, as it should make it easier to read and work with the file contents.

Kind regards,
Pedro Melo