In this tutorial, it is supposed to use the precompiled version of Quantum-ESPRESSO (6.3) on the smith cluster system, the one operated in the Morikawa group at Osaka University, and you don't have to copy source code or pseudopotential. You are going to use the source in


and the pseudopotentials placed in


If you want to use your own version of the code and pseudopotentials, follow the instruction given in the "Installation" page.

Input files and job scripts are archived and placed in


For the H2 example, copy h2.tgz by typing

$ cp ~ikutaro/QE/tutorial/h2.tgz .

in your tutorial direcotry and expand in your directory as

$ tar zxf h2.tgz

and remove the tar file

$ rm -f h2.tgz
トップ   編集 凍結 差分 バックアップ 添付 複製 名前変更 リロード   新規 一覧 単語検索 最終更新   ヘルプ   最終更新のRSS
Last-modified: 2019-12-26 (木) 10:04:45 (308d)