[Pw_forum] PAW pseudo-potential for Al and Ni

Lorenzo Paulatto paulatto at sissa.it
Mon Aug 17 10:05:30 CEST 2009


In data 14 agosto 2009 alle ore 10:44:40, Nguyen Thanh Cuong  
<ntcuong at jaist.ac.jp> ha scritto:
> Does anyone have generated  the paw pseudo-potentials for Al and Ni with  
> ld1 code? Would you share the ld1 input files?

Dear Nguyen,
I'm sending you an input file for Aluminium, it is not very tested it  
(I've only checked basic Al structure and 2 AlN structures).

I don't have one for Ni, but I think it could be adapted from a Palladium  
input you can find in atomic_doc/paw_library/input

good luck!

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***
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