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wangtower鐵蟲 (初入文壇)
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【求助】計算界面,總不收斂,請教如何處理? 已有5人參與
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計算界面,總不收斂,請教如何處理? Error check_elec_ground_state : electronic_minimisation of initial cell failed. Current trace stack: check_elec_ground_state castep Error check_elec_ground_state : electronic_minimisation of initial cell failed. Current trace stack: check_elec_ground_state castep Error check_elec_ground_state : electronic_minimisation of initial cell failed. Current trace stack: check_elec_ground_state castep Error check_elec_ground_state : electronic_minimisation of initial cell failed. Current trace stack: check_elec_ground_state castep MPI Application rank 0 exited before MPI_Finalize() with status 1 計算界面時,報的錯。有遇到過么? |
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