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[交流] 【求助】ubuntu phonopy

有没有使用phonopy的朋友？我在ubuntu上装了phonopy，开始运行正常，后来算另一个时（原子种类由2种变成4种）出现一下问题：运行phonopy产生超胞，phonopy -f vasprun.mxl-*产生FORCES都正常，最后执行phonopy -p时出现一下：
Band structure mode
Settings:
  Supercell:  [3 3 1]
Spacegroup:  P2_1/m    (11)
Traceback (most recent call last):
  File "/usr/local/bin/phonopy", line 505, in
forces = file_IO.parse_FORCES( supercell )
  File "/home/dxp/phonopy-0.9.3/lib/python/phonopy/file_IO.py", line 29, in parse_FORCES
forces = Forces( atom_number-1, displacement, forces_tmp )
  File "/home/dxp/phonopy-0.9.3/lib/python/phonopy/forces.py", line 17, in __init__
self.forces = np.array(forces)
ValueError: setting an array element with a sequence.
请问大家知不知道什么原因？
还有在算另一个时出现一下情况：
  Supercell:  [3 3 1]
Spacegroup:  P6_3/mmc (194)
Paths in reciprocal reduced coordinates:
[ 0.00  0.00  0.00] --> [ 0.00  0.00  0.50]
[ 0.00  0.00  0.50] --> [-0.33  0.67  0.50]
[-0.33  0.67  0.50] --> [-0.33  0.67 -0.00]
[-0.33  0.67  0.00] --> [ 0.00 -0.00  0.00]
[ 0.00  0.00  0.00] --> [ 0.00  0.50  0.00]
[ 0.00  0.50  0.00] --> [ 0.00  0.50  0.50]
[ 0.00  0.50  0.50] --> [-0.33  0.67  0.50]
Traceback (most recent call last):
  File "/usr/local/bin/phonopy", line 583, in
is_eigenvectors=settings.get_is_eigenvectors() )
  File "/home/dxp/phonopy-0.9.3/lib/python/phonopy/__init__.py", line 284, in set_band_structure
factor=self.factor )
  File "/home/dxp/phonopy-0.9.3/lib/python/phonopy/band_structure.py", line 20, in __init__
self.set_band( verbose=verbose )
  File "/home/dxp/phonopy-0.9.3/lib/python/phonopy/band_structure.py", line 72, in set_band
eigvals.append(np.linalg.eigvalsh(dm).real)
  File "/usr/lib/python2.6/dist-packages/numpy/linalg/linalg.py", line 722, in eigvalsh
raise LinAlgError, 'Eigenvalues did not converge'
numpy.linalg.linalg.LinAlgError: Eigenvalues did not converge
这又是怎么回事？

有时出现上面情况，有计算成功的时候。

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