Tutorial B-doped Diamond phonon linewidth value error

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Aa410733031
Posts: 10
Joined: Wed Aug 24, 2022 11:52 pm
Affiliation: NYCU

Tutorial B-doped Diamond phonon linewidth value error

Post by Aa410733031 »

Dear experts and users,
I have run epw example phonon self energy, i have a problem during an EPW calculation.
I want to ask why my cauculation in uncorrect and mode6 phonon-linewidth.
It is my epw.in:
--
&inputepw
prefix = 'diam'
amass(1) = 12.01078
outdir = './'

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 = '../phonons/save'
filukk = './diam.ukk'
filqf = 'meshes/path.dat'
nkf1 = 50
nkf2 = 50
nkf3 = 50

nk1 = 6
nk2 = 6
nk3 = 6

nq1 = 6
nq2 = 6
nq3 = 6
/
Best
THANKS
Attachments
linewidth.jpg
linewidth.jpg (26.85 KiB) Viewed 14536 times

NFH
Posts: 13
Joined: Fri Jan 29, 2016 12:43 pm
Affiliation:

Re: Tutorial B-doped Diamond phonon linewidth value error

Post by NFH »

Hi, did you find an answer?
Has the definition of the "linewidth" changed between the versions?
I seem to have a similar/identical problem: viewtopic.php?f=6&t=1875&p=5130#p5130

cheers,
Nicki

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