EPW Forum

Hello, I am running EPW on silicon carbide system. I completed the sc, phonon and non self consistent calculation.
I am running EPW with the following input

--
&inputepw
prefix = 'sic'
amass(1) = 28.0855
amass(2) = 12.0107
outdir = './'

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

epwwrite = .true.
epwread = .false.

nbndsub = 5
nbndskip = 0

wannierize = .true.
num_iter = 300
iprint = 2
dis_win_max = 12
dis_froz_max= 7
proj(1) ='random'

iverbosity = 0

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

fsthick = 2.80284905 ! eV
eptemp = 200 ! K
degaussw = 0.1 ! eV

dvscf_dir = '../02-ph/save'
filukk = './SiC.ukk'

nk1 = 5
nk2 = 5
nk3 = 5

nq1 = 5
nq2 = 5
nq3 = 5

nqf1 = 20
nqf2 = 20
nqf3 = 20
nkf1 = 10
nkf2 = 10
nkf3 = 10

/
10 cartesian
0.000000000 0.000000000 0.000000000 0.008
-0.200000000 0.200000000 -0.200000000 0.064
-0.400000000 0.400000000 -0.400000000 0.064
0.000000000 0.400000000 0.000000000 0.048
-0.200000000 0.600000000 -0.200000000 0.192
0.600000000 -0.200000000 0.600000000 0.192
0.400000000 0.000000000 0.400000000 0.096
0.000000000 0.800000000 0.000000000 0.048
0.800000000 0.000000000 0.800000000 0.096
0.600000000 -0.200000000 1.000000000 0.192

then I get the following error

At line 747 of file bloch2wan.f90 (unit = 211, file = 'sic.bvec')
Fortran runtime error: End of file

can anybody tell me what could be the source of the problem ?
Thanks, Jacopo Simoni

Dear Jacopo Simoni:

It seems that you encounter the issue with *.bvec files in the old versions of EPW. I fixed it in the recent versions of EPW.
Could you try to use the recent versions of EPW, v5.3.1 or v5.4?

Using them, you need to modify the following things:
(1) remove "kmaps = .false." if you use EPW v5.4
(2) remove "nbndskip = 0"
(3) change "eptemp = 200 ! K" by "temps = 200 ! K"
(4) remove the q-point list in the end of epw.in .

You can refer to the Releases page at https://docs.epw-code.org/doc/Releases.html .

Sincerely,

H. Lee