[CPMD-list] Large-scale DFT calculations?

[Ichiro Nagano]

Dear CPMD users,

I would like to try more large-scale crystals (100-300 atoms in a unit
cell).
If it is possible cost effectively, could you give me an advice?

Alternatively, should I use order-N method?

Thanks for any help,

Ichiro Nagano

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Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd.
8-1, Sachiura, 1-Chome, Kanazawa-ku, Yokohama, 236-8515, Japan
Ichiro Nagano
E-mail: <nagano at atrc.mhi.co.jp>
TEL: + 81 (45) 771-1222
FAX: + 81 (45) 771-3879