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wien2k:ハイブリッド汎関数法

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wien2k:ハイブリッド汎関数法 [2020/07/04 16:52] – [状態密度] koudaiwien2k:ハイブリッド汎関数法 [2021/06/27 22:04] (current) – external edit 127.0.0.1
Line 70: Line 70:
 $ x_lapw kgen $ x_lapw kgen
 $ x_lapw lapw1 -p $ x_lapw lapw1 -p
-$ x_lapw lapw2 -p -qtl -hf+$ x_lapw lapw2 -p -qtl -hf    # x_lapw qtl -p -hf も可
 $ configure_int_lapw -b  total 1 tot,d,d-eg,d-t2g  2 tot,s, end $ configure_int_lapw -b  total 1 tot,d,d-eg,d-t2g  2 tot,s, end
 $ x tetra -p -hf $ x tetra -p -hf
wien2k/ハイブリッド汎関数法.1593849174.txt.gz · Last modified: 2021/06/27 22:01 (external edit)