Recently,i had a problem with Solve Anisotropic Eliashberg Equations, where no error file was reported after an interrupt to the calculation process and got stuck in the output line below. What could be the problem?
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Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
Cutoff frequency wscut = 1.0000
pade Re[znorm] [eV] Re[delta] [eV]
554 NaN NaN
Convergence was reached for N = 554 Pade approximants
and the input files is :
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&inputepw
prefix = ' '
amass(1) = ,
outdir = './outdir/'
ep_coupling = .true.
elph = .true.
kmaps = .true.
epwread = .true.
epwwrite = .false.
wannierize = .false.
! num_iter = 0
dis_froz_min=
dis_froz_max=
proj(1) = ' '
wdata(1) = 'Begin Kpoint_Path'
wdata(2) = 'G 0.00 0.00 0.00 M 0.00 0.50 0.00'
wdata(3) = 'M 0.00 0.50 0.00 K 0.333 0.333 0.00'
wdata(4) = 'K 0.333 0.333 0.0 G 0.00 0.00 0.00'
wdata(5) = 'End Kpoint_Path'
wdata(6) = 'bands_plot = .true.'
wdata(7) = 'bands_num_points = 55'
wdata(8) = 'guiding_centres = .true.'
wdata(9) = 'dis_num_iter = 5000'
bands_skipped = 'exclude_bands = 1:25'
system_2d=.true.
etf_mem = 1
nbndsub = ,
iverbosity = 2
eps_acustic = 2.0 ! Lowest boundary for the phonon frequency
ephwrite = .true. ! Writes .ephmat files used when Eliasberg = .true.
fsthick = 0.1 ! eV
degaussw = 0.01 ! eV
nsmear = 1
nqsmear = 1
delta_smear = 0.01 ! eV
degaussq = 0.5 ! meV
nqstep = 500
eliashberg = .true.
laniso = .true.
limag = .true.
lpade = .true.
conv_thr_iaxis = 1.0d-4
! max_memlt = 1.40d0
! asr_typ = 'crystal'
delta_approx = .true.,
! elecselfen = .true.,
phonselfen = .true.,
! a2f = .true. ,
wscut = 1.0 ! eV Upper limit over frequency integration/summation in the Elisashberg eq
nstemp = 11 ! Nr. of temps
temps = 3.00 13.00 ! K provide list of temperetures OR (nstemp and temps = tempsmin tempsmax for even space mode)
nsiter = 500
muc = 0.21246
dvscf_dir = '../../test-phonon/save'
nk1 = 12
nk2 = 12
nk3 = 1
nq1 = 6
nq2 = 6
nq3 = 1
! mp_mesh_k = .true.
nkf1 = 60
nkf2 = 60
nkf3 = 1
nqf1 = 60
nqf2 = 60
nqf3 = 1
/
Ihad try to change the "max_memlt" When I came across this problem ,But it's not this parameter. So how can I solve this problem,Thanks you ! Best wish!