[Pw_forum] Cu US PP with PBE exchange

Aloysius Soon SL a.soon at auckland.ac.nz
Fri Oct 1 13:05:49 CEST 2004

Hi  Sampyo,
I have used this pseudo and I have tested this pseudo in Cu2O and it should be
around 50-60 Ry (kpoints depends on unit cell used). The lattice constant and
bulk modulus are well represented. This was also reported in the literature.  


Aloysius Soon SL
Postgraduate Student
Structural & Computational Chemistry
Chemistry Department
The University Of Auckland, New Zealand
Phone: +64 9 373 7599 ext 88291
Email: a.soon at auckland.ac.nz

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