[Pw_forum] Balance the efficiency and veracity of PWscf vs. other DFT codes.

[zhaohscas]

Hi all,

When the system under study is large, i.e., including hundreds of atoms or more, in this case, form the point of balancing the efficiency and veracity, whether the PWscf is suitable for such computation or not?  Furthermore, in this case, which will be more promising DFT code(s)?

Any help or hints would be appreciated.
Sincerely yours, 				
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Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences 
GnuPG DSA: 0xD10849
2008-07-05