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Merge branch 'doc' of github.com:sunliang98/abacus-develop into doc
2 parents 0cde2d5 + f9166fd commit d51b63a

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‎examples/01_bravais_lattice/01_fcc_Si/INPUT‎

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INPUT_PARAMETERS
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#Parameters (General)
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pseudo_dir ../../../tests/PP_ORB
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calculation scf
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#Parameters (Accuracy)
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ecutwfc 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
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scf_thr 1e-8
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scf_nmax 20
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basis_type pw
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latname fcc
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### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
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### So it is strongly recommended to test whether your result (such as converged SCF energies) is
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### converged with respect to the energy cutoff.
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examples/01_bravais_lattice/fcc_SiO2/KPT renamed to examples/01_bravais_lattice/01_fcc_Si/KPT

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examples/01_bravais_lattice/fcc_SiO2/STRU renamed to examples/01_bravais_lattice/01_fcc_Si/STRU

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examples/01_bravais_lattice/fcc_SiO2/run.sh renamed to examples/01_bravais_lattice/01_fcc_Si/run.sh

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‎examples/01_bravais_lattice/02_hex_MoS2/INPUT‎

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INPUT_PARAMETERS
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#Parameters (General)
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pseudo_dir ../../../tests/PP_ORB
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calculation scf
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#Parameters (Accuracy)
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ecutwfc 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
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scf_thr 1e-8
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scf_nmax 20
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smearing_sigma 0.002
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basis_type pw
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latname hexagonal
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### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
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### So it is strongly recommended to test whether your result (such as converged SCF energies) is
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### converged with respect to the energy cutoff.
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examples/01_bravais_lattice/hexagonal_MoS2/KPT renamed to examples/01_bravais_lattice/02_hex_MoS2/KPT

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examples/01_bravais_lattice/hexagonal_MoS2/STRU renamed to examples/01_bravais_lattice/02_hex_MoS2/STRU

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examples/01_bravais_lattice/hexagonal_MoS2/run.sh renamed to examples/01_bravais_lattice/02_hex_MoS2/run.sh

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‎examples/01_bravais_lattice/03_so_SnTe/INPUT‎

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INPUT_PARAMETERS
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pseudo_dir ../../../tests/PP_ORB
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calculation scf
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ecutwfc 60 ###Energy cutoff needs to be tested to ensure your calculation is reliable.[1]
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scf_thr 1e-08
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scf_nmax 100
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basis_type pw
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latname so
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### [1] Energy cutoff determines the quality of numerical quadratures in your calculations.
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### So it is strongly recommended to test whether your result (such as converged SCF energies) is
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### converged with respect to the energy cutoff.
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examples/01_bravais_lattice/so_SnTe/KPT renamed to examples/01_bravais_lattice/03_so_SnTe/KPT

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