Dear Shubham, rather than using the *.wfcNN file (which are split among MPI processes), here you can find an example on how to read and play with the wfcNNN*.dat files:
https://github.com/marcobn/PAOFLOW/blob/master/src/defs/do_atwfc_proj.py function: read_QE_wfc I have no experience with the Wannier UNK_* files. HTH. Best, D. On 6/16/25 12:41, Shubham Patel wrote:
Dear community and developers, I would like to know that where are the Bloch states/orbitals/wavefunctions in QE-DFT calculations are stored? Are those stored in *.wfc files? These are the binary files and can't access them. If those Bloch orbitals are stored in wfc files, could someone tell how to access those states? I want to create Wannier orbitals using Bloch states. Can somebody also tell where I can access the Wannier orbitals in Wannier90 calculations so that I don't have to calculate them using Bloch states myself. I know that the unitary matrices from which the Wannier orbitals are calculated are stored in the 'UNK_*' files, but those are also binary files and therefore I can't directly use them for my purpose. It would be really helpful if someone can tell how or from which file I can access the Bloch orbitals or Wannier orbitals. Thank you very much in advance. Sincerely, Shubham
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