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The idea is to add a patch to Quantum ESPRESSO to be called whenever c_diag is called. The patch should be used to fix the gauge of the wavefunction (e.g. set max plane-wave coefficient to be real) and should also consider the case of degenerate states.
The text was updated successfully, but these errors were encountered:
The idea is to add a patch to Quantum ESPRESSO to be called whenever c_diag is called. The patch should be used to fix the gauge of the wavefunction (e.g. set max plane-wave coefficient to be real) and should also consider the case of degenerate states.
The text was updated successfully, but these errors were encountered: