[CPMD-list] (no subject)

[kdong]

Dear every cpmd user,
     I am going to investigate the properties of interfaces of gas-liquid biphase and the electronic or local orbital properties on the interface using CPMD.  Now I do not know how to construct the model to simulate, and not know what approach is better to calculate the system.
    Who can give me some suggestions?
    
    Best Regards
    k.dong 

2007-08-28 



K. dong
Institute of Process Engineering
Chinese Academy of Sciences
P. O. BOX 63, Beijing 100080
The People's Republic of China
E-mail: dongkun at home.ipe.ac.cn
          kdong at foxmail.com


 
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