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$ init_lapw -b -numk 2000 -rkmax 8.5 -sp $ runsp_c_lapw -p -cc 0.0001 -ec 0.00001 -i 100
$ init_so_lapw
$ rm *.broyd* $ runsp_lapw -p -cc 0.0001 -ec 0.00001 -i 100 -so
$ x lapw1 -band -up -p $ x lapw1 -band -dn -p $ x lapwso -up -p $ x spaghetti -up -p # case.inspを編集 $ x spaghetti -up -p