EPW Forum

Posted: **Tue Aug 03, 2021 2:53 pm**

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

--
&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 1344 times

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

: fig2.png (57.36 KiB) Viewed 1344 times

but with the output like this

: fig3.png (39.08 KiB) Viewed 1344 times

how to deal with it ?
best wishes,
zhenqing

Posted: **Thu Aug 05, 2021 6:55 pm**

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

EPW Forum

calculate phonon linewith with a breakdown

calculate phonon linewith with a breakdown

Re: calculate phonon linewith with a breakdown