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[求助]
QE 5.1 版本 能帶計算出錯
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各位好, 使用QE 5.1 版本計算能帶的時候出錯了, 不曉得問題出在哪裡 這是錯誤 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine bands (1): gamma_only case not implemented %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 這是我使用的 .in file &BANDS prefix = 'CuO' outdir = 'TMP/' filband = 'bandup.dat' spin_component = 1, lsym = .true., / 還拜託各位朋友能幫我回答這問題 ! |
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