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" <[email protected]>
Sent Time:2021-08-18 14:21:33 (Wednesday)
To: "Quantum ESPRESSO users Forum" <[email protected]>
Cc:
Subject: Re: [QE-users] EPW error>>kgmap
Please provide an example.
Paolo
Il mar 17 ago 2021, 10:49 王绍菲 <[email protected]> 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: [email protected]
Tel:+8617812085251
Address: A1-4F-433 room, No.1, Zhongziyuan road, Dalang, DongGuan, Guangdong
province, China
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