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[Manuela Volpe <manuela.volpe@casaccia.enea.it>]

Dear Rongqin,
I tested the same pp for Zr in ZrO2 and I found the same (or greater!) error.
On the other hand, when I tried with Teter extended norm-conserving pp ,
risults seemed more accurated...
good luck!
Manuela Volpe

Wu Rongqin wrote:

Dear all,

As I tested the  tm Zr pp downloaded from the abinti website and found that the calculated lattices are 10% greater than experimental ones. So any body can generate one for me?

In my test, I did not take the spin polarization into account.

I am desperate.

Rongqin wu

-- 
Manuela Volpe
ENEA, UTS Materiali e Nuove Tecnologie 
Centro Ricerche Casaccia, s.p. 050
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e-mail: manuela.volpe@casaccia.enea.it