wien2k:インストール_21.1
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wien2k:インストール_21.1 [2021/04/29 15:28] koudai [コンパイル（Ubuntu20.04 + WIEN2k_21.1 + Intel OneAPI 2021.1）] |
wien2k:インストール_21.1 [2021/04/29 15:29] koudai [コンパイル（Ubuntu20.04 + WIEN2k_21.1 + Intel OneAPI 2021.1）] |
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| - Specify LIBXC settings | - Specify LIBXC settings | ||
| - [Would you like to use LIBXC (usually not needed, ONLY for experts who want to play with different DFT options. It must have been installed before)? (y,N):] n | - [Would you like to use LIBXC (usually not needed, ONLY for experts who want to play with different DFT options. It must have been installed before)? (y,N):] n | ||
| - | * もしもいろいろな交換相関汎関数を使って遊びたいという人がいればyを指定して次のようにする（Libxcをインストールしていること） | + | * 通常はWIEN2kに実装されている交換相関汎関数で十分だが、いろいろ変えて遊びたいのであればyを指定して次のようにする（Libxcをインストールしていること） |
| - [Do you want to automatically search for LIBXC installations? | - [Do you want to automatically search for LIBXC installations? | ||
| - [Please specify a comma separated list of directories to search! (If no list is entered, /usr/lib64, /usr/local and /opt will be searched as default):] Enter | - [Please specify a comma separated list of directories to search! (If no list is entered, /usr/lib64, /usr/local and /opt will be searched as default):] Enter | ||
wien2k/インストール_21.1.txt · Last modified: 2022/11/30 17:53 by koudai
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