[Phonopy-users] Phonopy: ValueError: could not convert string to float: '*********'
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From: Raihan A. <rai...@in...> - 2020-07-22 12:45:57
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Hi,
I have performed phonon calculation in VASP using phonopy inputs for a
2x2x1 supercell. The VASP scf calculations converged normally. However,
when I try to create FORCE_SETS file using the command " phonopy -f
disp-{001..064}/vasprun.xml ", I get the following error- *ValueError:
could not convert string to float: '*********' *
Please help with this issue.
[raihan@master 221]$ phonopy -f disp-{001..064}/vasprun.xml
_
_ __ | |__ ___ _ __ ___ _ __ _ _
| '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | |
| |_) | | | | (_) | | | | (_) || |_) | |_| |
| .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, |
|_| |_| |___/
2.1.3
Displacements were read from "phonopy_disp.yaml".
counter (file index): 1 2 Traceback (most recent call last):
File "/apps/compiler/python/3.6/anaconda3/bin/phonopy", line 4, in
<module>
__import__('pkg_resources').run_script('phonopy==2.1.3', 'phonopy')
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/pkg_resources/__init__.py",
line 667, in run
self.require(requires)[0].run_script(script_name, ns)
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/pkg_resources/__init__.py",
line 1464, in ru
exec(code, namespace, namespace)
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy-2.1.3-py3.6-linux-x86_64.egg-info/scnopy",
line 412, in <module>
log_level=log_level)
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/__init__.py",
line 358, inORCE_SETS
verbose=(log_level > 0))
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/__init__.py",
line 436, ine_sets
verbose=verbose)
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 64, in parsforces
force_sets.append(vasprun.read_forces())
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 509, in rea
return self._parse_expat_vasprun_xml()
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 612, in _pa_vasprun_xml
return self._parse_by_expat(self._fileptr)
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 616, in _papat
vasprun.parse()
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 725, in par
self._p.ParseFile(self._fileptr)
File
"/home/conda/feedstock_root/build_artifacts/python_1542767422794/work/Modules/pyexpat.c",
line 282, in Charac
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 1214, in _c
vals = [float(x) for x in data.split()]
File
"/apps/compiler/python/3.6/anaconda3/lib/python3.6/site-packages/phonopy/interface/vasp.py",
line 1214, in <l
vals = [float(x) for x in data.split()]
ValueError: could not convert string to float: '*********'
Thanks & Regards,
Raihan Ahammed
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