ypp_ph gives Segmentation fault in bulk h-BN

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ymzhang
Posts: 5
Joined: Wed Jun 10, 2020 8:20 am

ypp_ph gives Segmentation fault in bulk h-BN

Post by ymzhang » Fri May 06, 2022 1:06 pm

Recently I'm calculating electron-phonon coupling in bulk hBN system.
I've successfully reproduce the Si example in the website http://www.yambo-code.org/wiki/index.ph ... n_Coupling. However, when I want to apply this method in hBN system. I got the following error:

Code: Select all

 ___ __  _____  __ __  _____   _____
|   Y  ||  _  ||  Y  ||  _  \ |  _  |
|   |  ||. |  ||.    ||. |  / |. |  |
 \_  _/ |. _  ||.\_/ ||. _  \ |. |  |
  |: |  |: |  ||: |  ||: |   \|: |  |
  |::|  |:.|:.||:.|:.||::.   /|::.  |
  `--"  `-- --"`-- --"`-----" `-----"


 <---> [01] MPI/OPENMP structure, Files & I/O Directories
 <---> [02] Y(ambo) P(ost)/(re) P(rocessor)
 <---> [03] Core DB
 <---> :: Electrons             : 16.00000
 <---> :: Temperature           : 0.000000 [eV]
 <---> :: Lattice factors       :  4.71600   4.08418  12.17671 [a.u.]
 <---> :: K points              : 14
 <---> :: Bands                 :  50
 <---> :: Symmetries            : 24
 <---> :: RL vectors            :  8029
 <---> [04] K-point grid
 <---> :: Q-points   (IBZ): 14
 <---> :: X K-points (IBZ): 14
 <---> [05] CORE Variables Setup
 <---> [05.01] Unit cells
 <---> [05.02] Symmetries
 <---> [05.03] Reciprocal space
 <---> [05.04] K-grid lattice
 <---> Grid dimensions      :   6   6   2
 <---> [05.05] Energies & Occupations
 <---> [06] == Electron-Phonon Databases ==
 <---> Inspecting databases ...PWscf (dressed)...found 14 Q-points
 <---> ELPH databases: phonon frequencies and eigenvectors |########################################| [100%] --(E) --(X)
 <---> ELPH databases: K+Q-grid check |########################################| [100%] --(E) --(X)
 <---> :: Code generator        :PWscf
 <---> :: DB Kind               :dressed
 <---> :: Expanded              :no
 <---> :: Q-points(read)        : 14
 <---> :: Q-points(written)     : 14
 <---> :: K-points              : 28
 <---> :: Bands                 :  50
 <---> :: Branches              : 12
 <---> :: Uniform sampling      :yes
 <---> :: Symmetry expanded     :no
 <---> :: Debye Energy          : 194.6037 [meV]Segmentation fault (core dumped)
I strictly follow the procedures in the website. Importantly, I set the OutputAlat manually to avoid the lattice mismatch. But can't figure out this problem. I've attach the inputs and outputs in the attachment.
ps: All the calculations are done in qe 6.7 and yambo 5.0.1
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claudio
Posts: 406
Joined: Tue Mar 31, 2009 11:33 pm
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Re: ypp_ph gives Segmentation fault in bulk h-BN

Post by claudio » Fri May 06, 2022 4:16 pm

Dear ymzhang

in one week more or less we will release Yambo 5.1 that solved some problems in the electron-phonon
coupling, may you try with this version?
You can already get a almost final version from github, please use this one:

https://github.com/yambo-code/yambo

and let us know if it works

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

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