Error deallocating emib3tz
Posted: Thu Apr 16, 2026 12:34 am
Dear developers,
Recently we met a problem when using EPW6.0 on the electron-phonon matrix data calculation. The error message is listed as follows, and I have attached the epw.in and epw.out here. Could you please tell me how to fix this problem? Thank you very much!
With best regards,
Hao Zhang
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
===================================================================
Memory usage: VmHWM = 1494Mb
VmPeak = 1850Mb
===================================================================
Using uniform q-mesh: 16 16 1
Size of q point mesh for interpolation: 256
Using uniform k-mesh: 16 16 1
Size of k point mesh for interpolation: 256
Max number of k points per pool: 26
Fermi energy coarse grid = -1.364717 eV
Fermi energy is calculated from the fine k-mesh: Ef = 0.413723 eV
Warning: check if difference with Fermi level fine grid makes sense
===================================================================
ibndmin = 8 ebndmin = -0.657 eV
ibndmax = 11 ebndmax = 2.407 eV
Number of ep-matrix elements per pool : 3744 ~= 29.25 Kb (@ 8 bytes/ DP)
A selecq.fmt file was found but re-created because selecqread == .FALSE.
Number selected, total 100 100
Number selected, total 200 200
We only need to compute 256 q-points
Progression iq (fine) = 100/ 256
Progression iq (fine) = 200/ 256
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine use_wannier (1):
Error deallocating emib3tz
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine use_wannier (1):
Error deallocating emib3tz
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Recently we met a problem when using EPW6.0 on the electron-phonon matrix data calculation. The error message is listed as follows, and I have attached the epw.in and epw.out here. Could you please tell me how to fix this problem? Thank you very much!
With best regards,
Hao Zhang
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
===================================================================
Memory usage: VmHWM = 1494Mb
VmPeak = 1850Mb
===================================================================
Using uniform q-mesh: 16 16 1
Size of q point mesh for interpolation: 256
Using uniform k-mesh: 16 16 1
Size of k point mesh for interpolation: 256
Max number of k points per pool: 26
Fermi energy coarse grid = -1.364717 eV
Fermi energy is calculated from the fine k-mesh: Ef = 0.413723 eV
Warning: check if difference with Fermi level fine grid makes sense
===================================================================
ibndmin = 8 ebndmin = -0.657 eV
ibndmax = 11 ebndmax = 2.407 eV
Number of ep-matrix elements per pool : 3744 ~= 29.25 Kb (@ 8 bytes/ DP)
A selecq.fmt file was found but re-created because selecqread == .FALSE.
Number selected, total 100 100
Number selected, total 200 200
We only need to compute 256 q-points
Progression iq (fine) = 100/ 256
Progression iq (fine) = 200/ 256
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine use_wannier (1):
Error deallocating emib3tz
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine use_wannier (1):
Error deallocating emib3tz
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...