[QE-users] [External Email] Re: EPW error>>kgmap

[Hari Paudyal]

Hi  ShaoFei Wang,

It looks like you do not have an interatomic force constant file (file name
should be ifc.q2r) saved in the 'save' directory where you have dyn and
dvscf files.

For the EPW related problems, I would recommend posting on
https://forum.epw-code.org/ and an expert will definitely help you out.

Best,
Hari Paudyal
SUNY Binghamton University

On Wed, Aug 18, 2021 at 10:01 PM 王绍菲 <wangshaofei at ihep.ac.cn> wrote:

> Hi Paolo
>
> This problem was missed when i changed the q points number in phonon
> calculation. but i confront with another problems
>
>      Symmetries of small group of q: 12
>           in addition sym. q -> -q+G:
>
>      Number of q in the star =    1
>      List of q in the star:
>           1   0.000000000   0.000000000   0.000000000
>    97679.479533954713        98317.490504130779
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine dynmat_asr (1):
>      inconsistent data
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> i think this must be some erro in my save file. but i use the pp.py in
> epw_mob file to produce the save file.
>
>  All the files in my save folder are shown in the Attach files.
> thanks for your attention!
>
> -----Original Messages-----
> *From:*"Paolo Giannozzi" <p.giannozzi at gmail.com>
> *Sent Time:*2021-08-18 14:21:33 (Wednesday)
> *To:* "Quantum ESPRESSO users Forum" <users at lists.quantum-espresso.org>
> *Cc:*
> *Subject:* Re: [QE-users] EPW error>>kgmap
>
> Please provide an example.
>
> Paolo
>
> Il mar 17 ago 2021, 10:49 王绍菲 <wangshaofei at ihep.ac.cn> ha scritto:
>
>> Did some one know this problem in epw?
>>
>> when i calculate the elph, i confront with this questions
>>
>>
>>    Calculating kgmap
>>      Progress kgmap: ########################################
>>      kmaps        :      0.37s CPU      0.60s WALL (       1 calls)
>>      Symmetries of Bravais lattice:  12
>>      Symmetries of crystal:          12
>>      Reading interatomic force constants
>>
>>
>> end of file reached, tag GEOMETRY_INFO not found
>> At line 1013 of file /srv/softwares/q-e-qe-6.7.0/q-e/upflib/xmltools.f90
>>
>> Fortran runtime error: Sequential READ or WRITE not allowed after EOF
>> marker, possibly use REWIND or BACKSPACE
>>
>>
>> Thanks alot, hoping to recive letters.
>>
>>
>>
>> --
>>
>>
>> Best!
>>
>>
>> ShaoFei Wang
>>
>> E-mail: wangshaofei at ihep.ac.cn
>>
>> Tel:+8617812085251
>>
>> Address: A1-4F-433 room, No.1, Zhongziyuan road, Dalang, DongGuan,
>> Guangdong province, China
>>
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>
>
>
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