EPW Forum

Hello EPW community,

I am getting this error while running a restart. Kindly let me know how I can solve it.

+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Error in routine rdiagh (2):
diagonalization (DSYEV) failed
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

epw1.in:

--
&inputepw
prefix = 'graphene'
outdir = './'
iverbosity = 0

elph = .true.

epbwrite = .true.
epbread = .false.
epwwrite = .true.
epwread = .false.

etf_mem = 1
vme = 'dipole'

lifc = .true.
asr_typ = 'crystal'

nbndsub = 10

nstemp = 8
temps = 100 800

wannierize = .true.
num_iter = 1500
iprint = 2
dis_win_max = 18
dis_froz_max= 8.5
proj(1) = 'random'

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

fsthick = 2.0 ! eV
degaussw = 0.01 ! eV

dvscf_dir = './save/'
filukk = './graphene.ukk'

wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.0000000000 0.0000000000 0.0000000000 M 0.0000000000 -0.5000000000 0.0000000000'
wdata(4) = 'M 0.0000000000 -0.5000000000 0.0000000000 K 0.3333333333 -0.6666666667 0.0000000000'
wdata(5) = 'K 0.3333333333 -0.6666666667 0.0000000000 G 0.0000000000 0.0000000000 0.0000000000'
wdata(6) = 'end kpoint_path'
wdata(7) = 'num_print_cycles = 1'
wdata(8) = 'bands_plot_format = gnuplot'
wdata(9) = 'guiding_centres = .true.'
wdata(10) = 'dis_num_iter = 300'
wdata(11) = 'dis_mix_ratio = 1.0'

band_plot = .true.
filkf = './LGX.txt'
filqf = './LGX.txt'

nk1 = 4
nk2 = 4
nk3 = 1

nq1 = 2
nq2 = 2
nq3 = 1
/




epw2.in

--
&inputepw
prefix = 'graphene'
restart = .true.
restart_step = 50
selecqread = .false.

outdir = './'
iverbosity = 0

elph = .true.

epbwrite = .false.
epbread = .false.
epwwrite = .false.
epwread = .true.

etf_mem = 1
vme = 'dipole'

lifc = .true.
asr_typ = 'crystal'

nbndsub = 10

scattering = .true.
scattering_serta = .true.
int_mob = .true.
carrier = .false.

nstemp = 8
temps = 100 800

iterative_bte = .false.
epmatkqread = .false. ! If .true. restart an IBTE calculation from scattering written to files.
mob_maxiter = 200

wannierize = .false.
num_iter = 1500
iprint = 2
dis_win_max = 18
dis_froz_max= 8.5
proj(1) = 'random'

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

fsthick = 1.0 ! eV
degaussw = 0.01 ! eV

dvscf_dir = './save/'
filukk = './graphene.ukk'

band_plot = .false.
wdata(1) = 'bands_plot = .true.'
wdata(2) = 'begin kpoint_path'
wdata(3) = 'G 0.0000000000 0.0000000000 0.0000000000 M 0.0000000000 -0.5000000000 0.0000000000'
wdata(4) = 'M 0.0000000000 -0.5000000000 0.0000000000 K 0.3333333333 -0.6666666667 0.0000000000'
wdata(5) = 'K 0.3333333333 -0.6666666667 0.0000000000 G 0.0000000000 0.0000000000 0.0000000000'
wdata(6) = 'end kpoint_path'
wdata(7) = 'num_print_cycles = 1'
wdata(8) = 'bands_plot_format = gnuplot'
wdata(9) = 'guiding_centres = .true.'
wdata(10) = 'dis_num_iter = 300'
wdata(11) = 'dis_mix_ratio = 1.0'

filkf = './LGX.txt'
filqf = './LGX.txt'

nk1 = 4
nk2 = 4
nk3 = 1

nq1 = 2
nq2 = 2
nq3 = 1
/

I also have the same issue.