Added norm conserving pseudopotential for Ni and O. The Ni pseudopotential

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includes data for GIPAW reconstruction and are in upf version 1.
These pseudopotential are necessary to run the XSpectra example to
calculate Ni K-edge XAS in NiO.

Matteo Calandra


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5197 c92efa57-630b-4861-b058-cf58834340f0

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matteo.calandra 2008-09-16 14:20:14 +00:00

parent 871a675448

commit 192c2fb36f

2 changed files with 9660 additions and 0 deletions

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examples/XSpectra_example/pseudo/Ni_PBE_TM_2pj.UPF Normal file

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examples/XSpectra_example/pseudo/O_PBE_TM.UPF Normal file

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