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Fix: correct the typo and format error in doc (#5788)
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docs/quick_start/input.md

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@@ -8,17 +8,17 @@ The `INPUT` file contains parameters that control the type of calculation as wel
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Below is an example `INPUT` file with some of the most important parameters that need to be set:
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```
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```plaintext
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INPUT_PARAMETERS
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suffix MgO
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ntype 2
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pseudo_dir ./
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orbital_dir ./
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ecutwfc 100 # Rydberg
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scf_thr 1e-4 # Rydberg
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basis_type lcao
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calculation scf # this is the key parameter telling abacus to do a scf calculation
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out_chg True
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orbital_dir ./
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ecutwfc 100 # in Rydberg
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scf_thr 1e-4 # Rydberg
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basis_type lcao
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calculation scf # this is the key parameter telling abacus to do a scf calculation
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out_chg True
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```
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The parameter list always starts with key word `INPUT_PARAMETERS`. Any content before `INPUT_PARAMETERS` will be ignored.
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- `ntype` : how many types of elements in the unit cell
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- `pseudo_dir` : the directory where pseudopotential files are provided
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- `orbital_dir` : the directory where orbital files are provided
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- `ecutwfc` : the plane-wave energy cutoff for the wave function expansion (UNIT: Rydberg)
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- `scf_thr` : the threshold for the convergence of charge density (UNIT: Rydberg)
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- `ecutwfc` : the plane-wave energy cutoff for the wave function expansion (UNIT: Rydberg)
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- `scf_thr` : the threshold for the convergence of charge density (UNIT: Rydberg)
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- `basis_type` : the type of basis set for expanding the electronic wave functions
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- `calculation` : the type of calculation to be performed by ABACUS
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- `out_chg` : if true, output thee charge density oon real space grid
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- `out_chg` : if true, output the charge density on real space grid
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For a complete list of input parameters, please consult this [instruction](../advanced/input_files/input-main.md).
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> **Note:** Users cannot change the filename “INPUT” to other names. Boolean paramerters such as `out_chg` can be set by using `True` and `False`, `1` and `0`, or `T` and `F`. It is case insensitive so that other preferences such as `true` and `false`, `TRUE` and `FALSE`, and `t` and `f` for setting boolean values are also supported.
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> **Note:** Users cannot change the filename “INPUT” to other names. Boolean paramerters such as `out_chg` can be set by using `True` and `False`, `1` and `0`, or `T` and `F`. It is case insensitive so that other preferences such as `true` and `false`, `TRUE` and `FALSE`, and `t` and `f` for setting boolean values are also supported. Specifically for the `out_chg`, `-1` option is also available, which means turn off the checkpoint of charge density in binary (always dumped in `OUT.{suffix}`, whose name ends with `CHARGE-DENSITY.restart`). Some parameters controlling the output also support a second option to control the output precision, e.g., `out_chg True 8` will output the charge density on realspace grid with 8 digits after the decimal point.
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## *STRU*
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The structure file contains structural information about the system, e.g., lattice constant, lattice vectors, and positions of the atoms within a unit cell. The positions can be given either in direct or Cartesian coordinates.
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The structure file contains structural information about the system, e.g., lattice constant, lattice vectors, and positions of the atoms within a unit cell. The positions can be given either in direct or Cartesian coordinates.
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An example of the `STRU` file is given as follows :
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```
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```plaintext
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#This is the atom file containing all the information
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#about the lattice structure.
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@@ -68,7 +69,7 @@ Mg_gga_8au_100Ry_4s2p1d.orb
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O_gga_8au_100Ry_2s2p1d.orb
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LATTICE_CONSTANT
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1.8897259886 # 1.8897259886 Bohr = 1.0 Angstrom
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1.8897259886 # 1.8897259886 Bohr = 1.0 Angstrom
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LATTICE_VECTORS
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4.25648 0.00000 0.00000
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## *KPT*
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This file contains information of the kpoint grid setting for the Brillouin zone sampling.
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An example of the `KPT` file is given below:
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```
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```plaintext
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K_POINTS
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0
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Gamma
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> **Note:** users may choose a different name for their k-point file using keyword `kpoint_file`
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For a more detailed description, please consult [here](../advanced/input_files/kpt.md).
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- The pseudopotential files

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