Error after kgmap calc

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frederik1
Posts: 6
Joined: Wed Dec 28, 2022 8:52 am
Affiliation: Prof.

Error after kgmap calc

Post by frederik1 »

Hi,

-------------> I am getting this error message when I run epw.x in QE:

...
( 0.53830 0.56957 0.51766) : 0.97719

-------------------------------------------------------------------
WANNIER : 19.69s CPU 20.21s WALL ( 1 calls)
-------------------------------------------------------------------

Calculating kgmap

Progress kgmap: ########################################
kmaps : 0.07s CPU 0.07s WALL ( 1 calls)
Symmetries of Bravais lattice: 48
Symmetries of crystal: 6
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer
free(): invalid pointer

Program received signal SIGABRT: Process abort signal.

Backtrace for this error:
free(): invalid pointer

Program received signal SIGABRT: Process abort signal.
...

-------------> AND here is my epw.in:

--
&inputepw
prefix = 'CsPbI3',
amass(1) = 132.9054519,
amass(2) = 207.2,
amass(3) = 126.90447,
outdir = './'
ep_coupling = .true.
elph = .true.
epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.
etf_mem = 1
nbndsub = 4,
wannierize = .true.
num_iter = 500
! dis_froz_max= 2
! dis_win_max= 2
proj(1) = 'random'
! proj(1) = 'Cs:s'
! proj(2) = 'Pb:pz'
! proj(3) = 'I:pz'
iverbosity = 2
eps_acustic = 2.0 ! Lowest boundary for the phonon frequency
ephwrite = .true. ! Writes .ephmat files used when Eliasberg = .true.
fsthick = 0.4 ! eV
degaussw = 0.10 ! eV
nsmear = 1
delta_smear = 0.04 ! eV
degaussq = 0.5 ! meV
nqstep = 500
eliashberg = .true.
laniso = .true.
limag = .true.
lpade = .true.
conv_thr_iaxis = 1.0d-4
wscut = 1.0 ! eV Upper limit over frequency integration/summation in the Elisashberg eq
nstemp = 1 ! Nr. of temps
temps = 15.00 ! K provide list of temperetures OR (nstemp and temps = tempsmin tempsmax for even space mode)
nsiter = 500
muc = 0.16
dvscf_dir = '../phonons/save'
nk1 = 6
nk2 = 6
nk3 = 6
nq1 = 6
nq2 = 6
nq3 = 6
mp_mesh_k = .true.
nkf1 = 20
nkf2 = 20
nkf3 = 20
nqf1 = 20
nqf2 = 20
nqf3 = 20
/

-------------> I was able to test the examples with no issues. I deeply appreciate your help.

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