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)
ps: All the calculations are done in qe 6.7 and yambo 5.0.1