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Jan 18, 2024
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Docs: to avoid the misunderstanding in docs #3518

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to avoid the misunderstanding in docs
WHUweiqingzhou Jan 18, 2024
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Update docs/quick_start/hands_on.md
WHUweiqingzhou Jan 18, 2024
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2 changes: 1 addition & 1 deletion docs/quick_start/hands_on.md
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Expand Up @@ -57,7 +57,7 @@ basis_type lcao
calculation scf # this is the key parameter telling abacus to do a scf calculation
```

The pseudopotential files of `Mg_ONCV_PBE-1.0.upf` and `O_ONCV_PBE-1.0.upf` should be provided under the directory of `pseudo_dir`, and the orbital files `Mg_gga_8au_100Ry_4s2p1d.orb` and `O_gga_8au_100Ry_2s2p1d.orb` under the directory of `orbital_dir`. The pseudopotential and orbital files can be downloaded from the [ABACUS website](http://abacus.ustc.edu.cn/pseudo/list.htm).
The pseudopotential files of `Mg_ONCV_PBE-1.0.upf` and `O_ONCV_PBE-1.0.upf` should be provided under the directory of `pseudo_dir` defined in `INPUT` (the default directory is "./"), and the orbital files `Mg_gga_8au_100Ry_4s2p1d.orb` and `O_gga_8au_100Ry_2s2p1d.orb` under the directory of `orbital_dir` also defined in `INPUT` (the default directory is "./"). The pseudopotential and orbital files can be downloaded from the [ABACUS website](http://abacus.ustc.edu.cn/pseudo/list.htm).

The final mandatory input file is called `KPT`, which sets the reciprocal space k-mesh. Below is an example:

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