Hello; I tried to run some calculations in the program using GGA+U
but at the moment of launching the calculation I get an error. Someone could explain why my calculations do not run. thank you very much
my input file
&CONTROL
calculation = "scf"
max_seconds = 2.41920e+06
pseudo_dir = "C:\Users\ahmed\.burai\.pseudopot"
restart_mode = "from_scratch"
tprnfor = .FALSE.
tstress = .FALSE.
/
&SYSTEM
a = 1.28000e+01
degauss = 1.00000e-02
ecutrho = 7.36429e+02
ecutwfc = 8.18254e+01
hubbard_u(1) = 1.10000e+00
hubbard_u(2) = 1.00000e+00
ibrav = 2
input_dft = "pw91"
lda_plus_u = .TRUE.
nat = 16
nosym = .FALSE.
nspin = 1
ntyp = 2
occupations = "smearing"
smearing = "gaussian"
/
&ELECTRONS
conv_thr = 1.00000e-06
diago_david_ndim = 4
diagonalization = "david"
electron_maxstep = 1001
mixing_beta = 7.00000e-01
mixing_mode = "plain"
mixing_ndim = 8
startingpot = "atomic"
startingwfc = "atomic+random"
/
K_POINTS {automatic}
2 2 2 0 0 0
ATOMIC_SPECIES
Cd 112.41100 Cd.pbe-n-kjpaw_psl.1.0.0.UPF
Te 127.60000 Te.pbe-dn-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS {alat}
Cd 0.000000 0.000000 0.000000
Te -0.375000 0.375000 0.375000
Cd -0.250000 0.250000 0.000000
Te -0.625000 0.625000 0.375000
Cd 0.000000 0.250000 0.250000
Te -0.375000 0.625000 0.625000
Cd -0.250000 0.500000 0.250000
Te -0.625000 0.875000 0.625000
Cd -0.250000 0.000000 0.250000
Te -0.625000 0.375000 0.625000
Cd -0.500000 0.250000 0.250000
Te -0.875000 0.625000 0.625000
Cd -0.250000 0.250000 0.500000
Te -0.625000 0.625000 0.875000
Cd -0.500000 0.500000 0.500000
Te -0.875000 0.875000 0.875000