Bad Termination in HSE calculation. #6064
Description
Describe the bug
When running an example of Si for HSE calculation, the programme terminate abnormally after a non-convergence warning:
Expected behavior
No response
To Reproduce
INPUT file:
INPUT_PARAMETERS
calculation scf
ecutwfc 100.000000
scf_thr 1.000000e-07
scf_nmax 100
basis_type lcao
dft_functional hse
gamma_only 0
mixing_type pulay
mixing_beta 0.400000
symmetry 0
nspin 1
smearing_method fixed
smearing_sigma 0.001000
cal_force 1
cal_stress 1
out_wfc_lcao 0
STRU file
ATOMIC_SPECIES
Si 1.00 Si_ONCV_PBE-1.0.upf
LATTICE_CONSTANT
1.8897261255
LATTICE_VECTORS
5.443702 0.0 0.0
0.0 5.443702 0.0
0.0 0.0 5.443702
ATOMIC_POSITIONS
Direct
Si
0.0
8
0.018538000000 0.007046000000 0.970264000000 0 0 0
0.001006000000 0.488576000000 0.521480000000 0 0 0
0.485998000000 0.499102000000 0.019754000000 0 0 0
0.511180000000 0.010486000000 0.499599000000 0 0 0
0.709256000000 0.266701000000 0.784766000000 0 0 0
0.221270000000 0.237548000000 0.263402000000 0 0 0
0.275654000000 0.738913000000 0.701223000000 0 0 0
0.777096000000 0.751628000000 0.239515000000 0 0 0
NUMERICAL_ORBITAL
Si_gga_7au_100Ry_2s2p1d.orb
KPT file:
K_POINTS
0
Gamma
2 2 2 0 0 0
Environment
No response
Additional Context
No response
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