Re: [Phonopy-users] Phonopy: ValueError: could not convert string to float: '*********'

[Atsushi T. <atz...@gm...>]

Hi,

Please use the latest phonopy.

Togo

On Wed, Jul 22, 2020 at 9:46 PM Raihan Ahammed
<rai...@in...> wrote:
>
> 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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-- 
Atsushi Togo