[QE-users] EPW error>>kgmap

[王绍菲]

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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