Jerome Jackson

unexpected default behaviour: tolerance for wannerisation ignored

1

Hello Wannier Developers, we noticed that the default behaviour currently seems to be to ignore the convergence threshold for wannierisation (the input variable **conv_tol**), which is a little surprising because...

pw2wannier: encapsulation of compute_amn and compute_mmn for use elsewhere in QE

1

- Improve pw2wannier by providing functions that can be called by other parts of QE for overlap and projection matrices; these functions to include wave function reading, etc, and need...

Issue #503 contains two unrelated problems. The parallelisation of the plot routine for generating xsf files was broken after a later merge that affected how the k-point distribution is handled...

make write_rmn parallel

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Parallelizes hamiltonian_write_rmn, avoiding needing the full m_matrix. Fixes issue #509 .