[Pw_forum] The calculated results using the pp file of Cs from Mr. Paolo.

岩 李 lyanglyan at yahoo.com.cn
Tue Nov 20 02:13:48 CET 2007


Dear Paolo and all users,

        I got a good areeement between the theory and experiment by using the Cs pp file that you sent to me. The simulated results even reproduce the experiment  data  under very high pressure. But I just tested the one with PBE and 9 valence electrons. 
    
     Thanks a lot!

     Best regards,
  
      Yan Li
      

       
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