EPW Forum

Dear friends

when i run epw.x there have an error like this, what should i do?
i wlill be greatly appreciated


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from calbec : error # 3
size mismatch
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Dear 1504463450:

Could you show me your epw.in?

Sincerely,

H. Lee

sorry,i forget show it,my epw.in show next

--
&inputepw
prefix = 'LiBC',
amass(1) = 6.941,
amass(2) = 10.811,
amass(3) = 12.0107,
outdir = './'

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

epwwrite = .true.
epwread = .false.

etf_mem = 1

nbndsub = 5,

wannierize = .true.
num_iter = 500
dis_froz_max= 5
proj(1) = 'Li:p'
proj(2) = 'B:p'
proj(3) = 'C:p'

iverbosity = 2

eps_acustic = 2.0
ephwrite = .true.

fsthick = 0.2
degaussw = 0.05
nsmear = 1
delta_smear = 0.04

degaussq = 0.5 ! meV
nqstep = 500

fermi_plot = .true.
ephwrite = .true.

eliashberg = .true.

laniso = .true.
limag = .true.
lpade = .true.

conv_thr_iaxis = 1.0d-3

wscut = 0.5 ! eV

nstemp = 11
temps = 10 60

nsiter = 500

muc = 0.13

dvscf_dir = './save'

nk1 = 10
nk2 = 10
nk3 = 1

nq1 = 5
nq2 = 5
nq3 = 1

mp_mesh_k = .true.

nkf1 = 40
nkf2 = 40
nkf3 = 1

nqf1 = 20
nqf2 = 20
nqf3 = 1
/
Sincerely,
shi

Dear 1504463450:
As you can see, the number of Wannier functions is not consistent with the projections.
How many atoms in you cell?
For example, if there are three atoms (one Li, one B, and one C) in your cell and you consider the spin-unpolarized case, nbndsub should be 9 (=3+3+3).

Sincerely,

H. Lee

Thanks a lot !!!!!it worked