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houyanhui8銅蟲 (小有名氣)
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[求助]
求教:運(yùn)行phonopy時(shí),提示Supercell matrix (DIM or --dim) is not found. 已有1人參與
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bash-3.2$ ls INPHON phonopy POSCAR dispmanager phonopy-FHI-aims gruneisen phonopy-qha outcar-born propplot bandplot pdosplot tdplot bash-3.2$ ./phonopy _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 1.9.3 Supercell matrix (DIM or --dim) is not found. _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| 以下是inphon文件的內(nèi)容: ATOM_NAME =Al LSUPER=.TRUE. NDIM=4 4 4 已經(jīng)設(shè)置了,為啥還是提示沒有發(fā)現(xiàn)dim? |

木蟲 (職業(yè)作家)
木蟲 (職業(yè)作家)
木蟲 (職業(yè)作家)
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_ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 1.8.4 Supercell matrix (DIM or --dim) is not found. _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| yhrun: error: cn3871: task 0: Exited with exit code 1 我的INPHON文件為 ATOM_NAME=Si DIM=2 2 3 LSUPER=.TRUE. |
木蟲 (職業(yè)作家)
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