Re: [Phonopy-users] FORCE_SETS

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

Dear Professor Atz Togo:
 
I have checked vasprun.xml files, but I have not found any problem yet.
 
I think this is because there are too many files to import date.
Is there any limits of a number of files that phonopy code can be read ? 
 

Thank you.

Kaito

----- Original Message -----
>From: Atsushi Togo <atz...@gm...>
>To: dew...@ya...
>Cc: pho...@li...
>Date: 2012/9/17, Mon 11:37
>Subject: Re: [Phonopy-users] FORCE_SETS
>
>Hi,
>
>Probably at least one vasprun.xml file is broken. I think so because
>xml parser complains.
>
>Togo
>
>On Mon, Sep 17, 2012 at 10:59 AM,  <dew...@ya...> wrote:
>> 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
>>
>>
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>
>
>
>-- 
>Atsushi Togo
>http://atztogo.users.sourceforge.net/
>atz...@gm...
>
>
>