Re: [Phonopy-users] Error when create a FORCE-SET file

[Jiongzhi Z. <jzh...@co...>]

From the python warning. Your problem should be there is one vasprun.xml file is not enacted, lacking of some atomic forces

Sent from my iPhone

On 16 May 2019, at 16:22, Luong Huu Duc <161...@st...<mailto:161...@st...>> wrote:

Hello,
I am a new user of PHONOPY. I ran some examples and it work fine. Then I try to apply to my case followed the instruction in https://atztogo.github.io/phonopy/vasp.html?fbclid=IwAR00xo75Sz0tMooH7EckpAtucbkqmPGL3nryMhFu1QMhOpvkOQcOqArwrYo
In step calculation Force_set, I got an error like following. Could you please help me out?
Best wishes and regards!
Luong Huu Duc

counter (file index): Traceback (most recent call last):

  File "/home/lhduc/anaconda3/bin/phonopy", line 412, in <module>

    log_level=log_level)

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/__init__.py", line 358, in create_FORCE_SETS

    verbose=(log_level > 0))

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/__init__.py", line 436, in get_force_sets

    verbose=verbose)

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py", line 64, in parse_set_of_forces

    force_sets.append(vasprun.read_forces())

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py", line 509, in read_forces

    return self._parse_expat_vasprun_xml()

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py", line 612, in _parse_expat_vasprun_xml

    return self._parse_by_expat(self._fileptr)

  File "/home/lhduc/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py", line 617, in _parse_by_expat

    return vasprun.get_forces()[-1]

IndexError: index -1 is out of bounds for axis 0 with size 0

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