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天迹浪涯金虫 (小有名气)
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[求助]
想要请教一下phonopy算声子谱的问题已有1人参与
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按照phonopy -d --dim="3 1 8"输入以后出现这样的情况 dream@dream-Lenovo-G480:~/下载/phonopy-1.11.12.112/As2S3$ phonopy -d --dim='3 1 8' _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 1.11.12-r112 Traceback (most recent call last): File "/usr/local/bin/phonopy", line 397, in <module> log_level=log_level) File "/usr/local/lib/python2.7/dist-packages/phonopy/api_phonopy.py", line 109, in __init__ self._build_supercell() File "/usr/local/lib/python2.7/dist-packages/phonopy/api_phonopy.py", line 1268, in _build_supercell self._symprec) File "/usr/local/lib/python2.7/dist-packages/phonopy/structure/cells.py", line 43, in get_supercell symprec=symprec) File "/usr/local/lib/python2.7/dist-packages/phonopy/structure/cells.py", line 167, in __init__ self._create_supercell(unitcell, symprec) File "/usr/local/lib/python2.7/dist-packages/phonopy/structure/cells.py", line 203, in _create_supercell sur_cell, u2sur_map = self._get_simple_supercell(unitcell, multi, P) File "/usr/local/lib/python2.7/dist-packages/phonopy/structure/cells.py", line 246, in _get_simple_supercell b, c, a = np.meshgrid(range(multi[1]), range(multi[2]), range(multi[0])) TypeError: meshgrid() takes exactly 2 arguments (3 given) 这是那里出问题了? |
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