我在opensuse11.2上安装phonopy-0.9.1.4。解压后在root 下执行python setup.py install ，发现执行phonopy 以及phohopy -f vasprun,xml-*可以，能够产生POSCAR-，也能得到FORCES文件，但执行phonopy -p时作不出图。得到一下信息：Traceback (most recent call last):
File "/usr/local/bin/phonopy", line 493, in
forces = file_IO.parse_FORCES( supercell )
File "/usr/local/lib/python2.6/site-packages/phonopy/file_IO.py", line 32, in parse_FORCES
forces = Forces( atom_number-1, displacement, forces_tmp )
File "/usr/local/lib/python2.6/site-packages/phonopy/forces.py", line 17, in __init__
self.forces = np.array(forces)
ValueError: setting an array element with a sequence.
请大家帮我分析一下。谢谢！ |
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