Bug: endless oscillation of relaxation of Na dimer with SG15 pseudopotential

[kirk0830]

Describe the bug

with cg method, it is surprising to see an optimization on Na dimer cannot reach its convergence within 30 steps, this is very abnormal.

INPUT_PARAMETERS
#Parameters (1.General)
suffix                  abacus
pseudo_dir              /root/documents/SG15_ONCV_v1.0_upf/
orbital_dir             ../
calculation             relax
relax_nmax              200
relax_method            bfgs
nspin                   1
#nupdown                 0 # singlet
symmetry                0
dft_functional          PBE

# dipole correction (for Na2, this is not needed)
#dip_cor_flag            1
#efield_flag             1
#efield_dir              2
#efield_amp              0

# Quantum ESPRESSO align
#pseudo_mesh             1
#pseudo_rcut             10

# Diagonalization
ks_solver               dav

#Parameters (2.Iteration)
ecutwfc                 100
scf_thr                 1e-8
scf_nmax                50

#Parameters (3.Basis)
basis_type              pw
gamma_only              1

#Parameters (4.Smearing)
smearing_method         fixed

#Parameters (5.Mixing)
mixing_type             broyden
mixing_beta             0.4
mixing_beta_mag         0.4
mixing_gg0              0
mixing_gg0_mag          0

#initialization
#init_wfc                nao
#psi_initializer         1
#nbands                  10

#restart
init_chg                auto

ATOMIC_SPECIES
Na   1.0000 Na_ONCV_PBE-1.0.upf upf201

LATTICE_CONSTANT
40.0000000000

LATTICE_VECTORS
        1.0000000000        0.0000000000        0.0000000000
        0.0000000000        1.0000000000        0.0000000000
        0.0000000000        0.0000000000        1.0000000000

ATOMIC_POSITIONS
Cartesian_angstrom_center_xyz
Na #label
0.0000   #magnetism
2 #number of atoms
0 0 0
2 0 0

Expected behavior

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To Reproduce

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Environment

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Additional Context

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