[Pw_forum] LDA norm-conserving pseudopotentials of Zn, Ga or In atoms

li niu niuli1978 at yahoo.com.cn
Mon Jun 7 15:09:59 CEST 2010


Dear users and developers,
I want to calculate Raman spectrum of InGaO3(ZnO)n compounds. USPP can not be used to calculate Raman intensity, and there is not NCPP in the official website for Zn, In and Ga atoms. I’m now looking for suitable pseudopotentials. Does anyone have a PZ LDA norm-conserving pseudopotentials for Zn, In or Ga atoms ?
Thanks in advance and kind regards.
 

Li Niu
School of Physics and Electronic Engineering, 
Harbin Normal University , Harbin 150025, 
China
 


      
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