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al_study新虫 (初入文坛)
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[求助]
vasp2boltz.py运行出错
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用Vasp+BoltzTrap做电输运性质的计算 出现以下问题： 一、运行命令 (1) cp vasp2boltz.txt case.py (2) ./case.py 出现如下错误 ./aaa.py: line 6: from: command not found ./aaa.py: line 7: from: command not found ./aaa.py: line 10: syntax error near unexpected token `(' ./aaa.py: line 10: `ao = io.read('POSCAR')' 二、运行命令 python case.py 出现以下错误 /home/lijie/.local/lib/python2.7/site-packages/ase/lattice/spacegroup.py:5: UserWarning: Moved to ase.spacegroup warnings.warn('Moved to ase.spacegroup') *************** None get_kspace_operations(): Warning, assuming primitive cell Segmentation fault 怎么个情况 |
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