[QE-users] Noncollinear calculation from collinear wfc

[Ignacio Alliati]

Hi All,

I’d like to know if a noncollinear calculation can be started from a collinear wfc.
I always get “Error in routine read_wfc (29): cannot open restart file run/run.save/wfc1 for reading”.

I tried a few things like

  1.  nosym=.true. and noinv=.true. in the collinear calculation, to make sure I have the same k-points as in the noncollinear.
  2.  Also, I tried NOT using LDA+U as I see that collinear runs need lda_plus_u_kind=0 while noncollinear ones need lda_plus_u_kind=1.

So I thought I’d ask, maybe it’s just not implemented?

Thanks in advance,
Ignacio Martin Alliati
PhD candidate, Maths and Physics, Queen’s University Belfast.
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