[Phonopy-users] Error when create a FORCE-SET file
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From: Luong H. D. <161...@st...> - 2019-05-16 08:19:49
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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 |