Yambo Community Forum

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?

Dear Shan Dong

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

best
Claudio

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.

Please have a look to the reply of this post:

viewtopic.php?f=16&t=2005&p=10328#p10328