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shanhuhai

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虫号: 6395430
注册: 2017-04-26
专业: 催化化学

[求助] 声子转换.dat文件已有1人参与

计算声子谱，前面都很顺利得到了band.yaml文件，执行bandplot --gnuplot >PhononBAND.dat后出现如下的报错

Traceback (most recent call last):
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/bin/bandplot", line 4, in <module>
__import__('pkg_resources').run_script('phonopy==1.11.2', 'bandplot')
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 3088, in <module>
@_call_aside
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 3072, in _call_aside
f(*args, **kwargs)
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 3101, in _initialize_master_working_set
working_set = WorkingSet._build_master()
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 574, in _build_master
ws.require(__requires__)
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 892, in require
needed = self.resolve(parse_requirements(requirements))
  File "/home-gk/users/nscc1743_YZX/dongs/Python-3.7.0b3/build/lib/python3.7/site-packages/pkg_resources/__init__.py", line 778, in resolve
raise DistributionNotFound(req, requirers)
pkg_resources.DistributionNotFound: The 'h5py' distribution was not found and is required by phonopy

有人知道怎么办吗，之后生成了PhononBAND.dat，但是里面什么也没有

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