Fw: [SIESTA-L] Effective core pseudopotential for gold

Mon, 04 Jun 2012 00:01:59 -0700 


----- Forwarded Message -----
From: priyanka kalra <[email protected]>
To: "[email protected]" <[email protected]> 
Sent: Monday, 4 June 2012 12:21 PM
Subject: [SIESTA-L] Effective core pseudopotential for gold
 

Hi dear  users
I'm working on gold clusters..but my results are not very accurate.. the psf 
i've generated is by using configuration 5p10 6s1...but i need psf which uses 
5s2 5p6 5d10 6s1 (ECP) configuration can anyone suggest

Regards
Priyanka
PanjabUniversity
Chandigarh
India





















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