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INPUT_PARAMETERS
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#Parameters (1.General)
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suffix Si
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calculation scf
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esolver_type sdft
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nbands 10
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nbands_sto 40
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nche_sto 120
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seed_sto 20000
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symmetry 1
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kpar 1
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bndpar 2
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#Parameters (2.Iteration)
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ecutwfc 40
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scf_thr 1e-6
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scf_nmax 100
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#Parameters (3.Basis)
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basis_type pw
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#Parameters (4.Smearing)
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smearing_method fd
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smearing_sigma 0.6
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#Parameters (5.Mixing)
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mixing_type broyden
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mixing_beta 0.4
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#Parameters (6.Conductivity)
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cal_cond 1
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cond_smear 1
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cond_fwhm 0.4
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cond_wcut 20
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cond_dw 0.02
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cond_dt 0.1

_book/examples/stochastic/cond_Si/KPT

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K_POINTS
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0
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Gamma
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1 1 1 0 0 0

_book/examples/stochastic/cond_Si/Onsager.txt

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ATOMIC_SPECIES
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Si 14 Si.pz-vbc.UPF
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LATTICE_CONSTANT
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5 // add lattice constant
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LATTICE_VECTORS
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1 0 0
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0 1 0
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0 0 1
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ATOMIC_POSITIONS
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Direct
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Si // Element type
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0.0 // magnetism
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1
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0.00 0.00 0.00 1 1 1

_book/examples/stochastic/cond_Si/Si.pz-vbc.UPF

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