you can also give the "open_grid.x" example a shot; just do a scf
Hello,
just be aware that I recently (as recently as soon as 2 days ago) fixed
a couple of bugs with open_grid.x, one that would cause random crashes,
the other would prevent the code from working with spin-orbit when
wf_collect is true (the default).
I've put the fixed code on the git repository, but I have not
back-ported it to QE 6.3, it should be as simple as changing
wavefunctions to wavefunctions_module, but I'm not 100% sure. I can have
a look, if you are actually going to use it.
https://gitlab.com/QEF/q-e/blob/develop/PP/src/open_grid.f90
cheers
--
Lorenzo Paulatto - Paris
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