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[Yann Pouillon <1347515@xxxxxxxxxxxxxxxxxx>]

** Changed in: libpspio
   Importance: Undecided => Medium

** Changed in: libpspio
       Status: New => Triaged

** Changed in: libpspio
    Milestone: None => 0.2.0

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https://bugs.launchpad.net/bugs/1347515

Title:
  NC multiprojectors in UPF v1

Status in Libpspio pseudopotential I/O library:
  Triaged

Bug description:
  Multiprojectors for NC PP are supported by QE:

  It is possible to generate PP's by pseudizing atomic waves, i.e.
  regular solutions of the radial Kohn-Sham equation, at any energy.
  More than one such atomic waves of different energy can be pseudized
  for the same l, resulting in a PP with more than one projector per l
  (directly produced in the separable form). Note however that the
  implementation of multiple-projector PP's is correct for US
  pseudization: NC pseudization is not properly done (a generalized
  norm-conservation requirement is not accounted for). US pseudization
  is achieved by setting different NC and US pseudization radii...

  From here: http://www.quantum-espresso.org/wp-content/uploads/Doc
  /pseudo-gen/node8.html

  I think in the libpspio they are not allowed, and the check is here: upf_read.c/upf_read_nonlocal: 
     CHECK_ERROR(ii == jj, PSPIO_EVALUE);

  Maybe introduce another error code for that, not PSPIO_EVALUE ?

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