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Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file

     ===================================================================
     Memory usage:  VmHWM =       503Mb
                   VmPeak =      1323Mb
     ===================================================================
     
     Using uniform q-mesh:   20  20  20
     Size of q point mesh for interpolation:       8000
     Using uniform MP k-mesh:   20  20  20
     Size of k point mesh for interpolation:       1562
     Max number of k points per pool:             1562

     Fermi energy coarse grid =  11.395344 eV

     ===================================================================

     Fermi energy is read from the input file: Ef =  10.885800 eV

     ===================================================================

              ibndmin = *****  ebndmin = ********* eV
              ibndmax =     0  ebndmax = ********* eV


     Number of ep-matrix elements per pool :    484802663 ~= ******* Kb (@ 8 bytes/ DP)
      
     A selecq.fmt file was found but re-created because selecqread == .FALSE. 
     We only need to compute        0 q-points
      
     ===================================================================
     Memory usage:  VmHWM =       503Mb
                   VmPeak =      1323Mb
     ===================================================================

     Fermi surface calculation on fine mesh
                  Fermi level (eV) =  10.885800
      -99999   bands within the Fermi window


     ===================================================================
     Solve anisotropic Eliashberg equations
     ===================================================================


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine read_frequencies (108):
     error opening file ./Al.ephmat/freq
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Code: Select all

&inputepw
  prefix      = 'Al',
  amass(1)    = 26.981538
  outdir      = './'
  dvscf_dir = '../phonons/save'

  ep_coupling = .true.
  elph        = .true.
  
  epbwrite    = .true.
  epbread     = .false.
  
  efermi_read = .true.
  fermi_energy = 10.8858
  
  epwwrite = .true.
  epwread  = .false.


  etf_mem     =  1 
  nbndsub     =  4,

  wannierize  = .true.
  
  num_iter    = 200
 ! dis_froz_max= 0.5
 ! dis_froz_min= -15
  proj(1)     = 'Al:s;px;py;pz'

  iverbosity  = 2

  eps_acustic = 0.5     
  ephwrite    = .true. 
  
  fsthick     = 3  ! eV
  degaussw    = 0.10 ! eV
  nsmear      = 1
  delta_smear = 0.04 ! eV

  degaussq     = 0.5 ! meV
  nqstep       = 500
  fermi_plot = .true.
  
  eliashberg  = .true.

  laniso = .true.
  limag = .true.
  lpade = .true.

  conv_thr_iaxis = 1.0d-4

  wscut = 1.0   ! eV   Upper limit over frequency integration/summation in the Elisashberg eq

  nstemp   = 5     ! Nr. of temps
  temps    = 0 1.5 ! K  provide list of temperetures OR (nstemp and temps = tempsmin  tempsmax for even space mode)

  nsiter   = 500

  muc     = 0.12

  
  nk1         = 6
  nk2         = 6
  nk3         = 6

  nq1         = 6
  nq2         = 6
  nq3         = 6

  mp_mesh_k = .true.
  nkf1 = 20
  nkf2 = 20
  nkf3 = 20

  nqf1 = 20
  nqf2 = 20
  nqf3 = 20