error in Electron Phonon Coupling

Run-time issues concerning Yambo that are not covered in the above forums.

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shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

error in Electron Phonon Coupling

Post by shan dong » Mon May 10, 2021 8:53 am

Dear all,
I want to get phonon-electron coupling in my system with Yambo and in the ph.x step in QE. The processes of scf,nscf,phonon were going well. But when i did the calculation of electron-phonon matrix elements in the dvscf process.
there was an error :

Reading dVscf from file mos2-dvscf2_

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine davcio (27):
error reading file "/home2/ycli/ds/mos2/scf/soc/661/eh/2/./_ph0/mos2.mos2-dvscf2_1"

Below is my input

&inputph
verbosity = 'high'
tr2_ph = 1e-12
prefix = 'mos2'
fildvscf = 'mos2-dvscf'
fildyn = 'mos2.dyn'
electron_phonon = 'yambo',
epsil = .true.
trans = .false.
ldisp = .false.
qplot = .true.
/
19
0 0 0 1
0 -0.096225 0 1
0 -0.1924501 0 1
0 -0.2886751 0 1
0 -0.3849002 0 1
0 -0.4811252 0 1
0 0.5773503 0 1
-0.0833333 -0.1443376 0 1
-0.0833333 -0.2405626 0 1
-0.0833333 -0.3367877 0 1
-0.0833333 -0.4330127 0 1
-0.0833333 -0.5292377 0 1
-0.1666667 -0.2886751 0 1
-0.1666667 -0.3849002 0 1
-0.1666667 -0.4811252 0 1
-0.1666667 -0.5773503 0 1
-0.25 -0.4330127 0 1
-0.25 -0.5292377 0 1
-0.3333333 -0.5773503 0 1

SOC is considered in my calculations.Could this error be caused by insufficient memory?
yifei liu
PhD student
Beijing Institute of Technology,China

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claudio
Posts: 450
Joined: Tue Mar 31, 2009 11:33 pm
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Re: error in Electron Phonon Coupling

Post by claudio » Tue May 11, 2021 9:33 pm

Dear Shan Dong

may you put also your DFT input, I will try to reproduce this error and let you know

best
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

Re: error in Electron Phonon Coupling

Post by shan dong » Fri May 14, 2021 10:24 am

claudio wrote: Tue May 11, 2021 9:33 pm Dear Shan Dong

may you put also your DFT input, I will try to reproduce this error and let you know

best
Claudio
Dear Claudio

Thanks for your patience, Here is my inputs.
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yifei liu
PhD student
Beijing Institute of Technology,China

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claudio
Posts: 450
Joined: Tue Mar 31, 2009 11:33 pm
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Re: error in Electron Phonon Coupling

Post by claudio » Thu Jun 03, 2021 3:45 pm

Please have a look to the reply of this post:

viewtopic.php?f=16&t=2005&p=10328#p10328
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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