[Phonopy-users] FORCE_SETS

[<dew...@ya...>]

Hi.

I tried to calculate a lit bit large cell (112 atoms) 

without using crystal symmetry.

I got 672 "vasprun.xml" files, and then I tried to

calculate "FORCE_SETS" by using -f option.

However, the calculation could not be run, and

error message below was displayed. 


Traceback (most recent call last): File "/usr/local/bin/phonopy", line 290, in <module> is_zero_point=options.force_sets_zero_mode ) File "~/phonopy-1.2.1/lib/python/phonopy/hphonopy/file_IO.py", line 172, in write_FORCE_SETS_vasp tag='varray') ) ) File "~/phonopy-1.2.1/lib/python/phonopy/interface/vasp.py", line 48, in get_forces_vasprun_xml for event, element in vasprun: File "iterparse.pxi", line 515, in lxml.etree.iterparse.__next__ (src/lxml/lxml.etree.c:87076) File "parser.pxi", line 565, in lxml.etree._raiseParseError (src/lxml/lxml.etree.c:64521) lxml.etree.XMLSyntaxError: Char 0x0 out of allowed range, line 222, column 1


Can anyone tell me how to solve this error ?



Thank you.

Kaito