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Uniform IO wavefunction files #81

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degennar opened this issue Nov 18, 2021 · 0 comments
Open

Uniform IO wavefunction files #81

degennar opened this issue Nov 18, 2021 · 0 comments
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enhancement New feature or request short-term

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@degennar
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Currently the IO routines handling the restart Wannier files (those used when restart_from_wannier_pwscf=.true.) are not the standard xml routines used to read/write all the wavefunctions files in CP. We should use the xml routines to write any wfc file.

Additionally, the files evc_occupied1.dat and evc_occupied2.dat can be eliminated (together with the restart_from_wannier_pwscf flag) and adapt the code to always use the standard files for the wfc of the variational orbitals, namely evc01.dat and evc02.dat.

@degennar degennar added enhancement New feature or request medium-term labels Nov 18, 2021
@degennar degennar self-assigned this Nov 18, 2021
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