calculate phonon linewith with a breakdown

[sevenel]

Dear all,
when I calculate the phonon linewith with the input file

Code: Select all

--
&inputepw
  prefix      = 'diam'
  amass(1)    = 12.01078
  outdir      = './out/'

  iverbosity  = 0

  elph        = .true.
  epbwrite    = .true.
  epbread     = .false.

  epwwrite    = .true.
  epwread     = .false.

  nbndsub     =  4

  wannierize  = .true.
  num_iter    = 300
  iprint      = 2
  dis_win_max = 12
  dis_froz_max= 7
  proj(1)     = 'f=0,0,0:l=-3'   

  elecselfen  = .false.
  phonselfen  = .true.
  a2f         = .false.


  fsthick     = 1.36056981 ! eV 
  temps       = 300 ! K (same as PRB 76, 165108)
  degaussw    = 0.1 ! eV

  dvscf_dir   = '../ph/save'
  filukk      = './diam.ukk'
  filqf       = 'path.dat'
  nkf1        = 50
  nkf2        = 50
  nkf3        = 50
  
  nk1         = 6
  nk2         = 6
  nk3         = 6

  nq1         = 6
  nq2         = 6
  nq3         = 6
 /

but the running break without any hint
and the running break down here

fig1.png (10.75 KiB) Viewed 1973 times

and the output does not have the message with phonon self energy like this

fig2.png (57.36 KiB) Viewed 1973 times

but with the output like this

fig3.png (39.08 KiB) Viewed 1973 times

how to deal with it ?
best wishes,
zhenqing

[hlee]

Dear zhenqing:

Could you provide EPW inputs and full outputs for two cases?

Additionally, you might get some hints by looking at the log files for your runs (if you compiled the code with debug flag).

Sincerely,

H. Lee