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, -------------- Hongsheng Zhao <zhaohscas at yahoo.com.cn> Xinjiang Technical Institute of Physics and Chemistry Chinese Academy of Sciences GnuPG DSA: 0xD10849 2008-07-05
