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Oct 22, 2024
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doc: fix typo in kpt.md #5320

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8 changes: 4 additions & 4 deletions docs/advanced/input_files/kpt.md
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Expand Up @@ -8,7 +8,7 @@ ABACUS uses periodic boundary conditions for both crystals and finite systems. F

## Gamma-only Calculations

In ABACUS, we offer th option of running gamma-only calculations for LCAO basis by setting [gamma_only](./input-main.md#gamma_only) to be 1. Due to details of implementation, gamma-only calculation will be slightly faster than running a non gamma-only calculation and explicitly setting gamma point to be the only the k-point, but the results should be consistent.
In ABACUS, we offer the option of running gamma-only calculations for LCAO basis by setting [gamma_only](./input-main.md#gamma_only) to be 1. Due to details of implementation, gamma-only calculation will be slightly faster than running a non gamma-only calculation and explicitly setting gamma point to be the only the k-point, but the results should be consistent.

> If gamma_only is set to 1, the KPT file will be overwritten. So make sure to turn off gamma_only for multi-k calculations.

Expand All @@ -23,7 +23,7 @@ method to generate k-mesh, and the following is an example input k-point (`KPT`)
K_POINTS //keyword for start
0 //total number of k-point, `0' means generate automatically
Gamma //which kind of Monkhorst-Pack method, `Gamma' or `MP'
2 2 2 0 0 0 //first three number: subdivisions along recpri. vectors
2 2 2 0 0 0 //first three number: subdivisions along reciprocal vectors
//last three number: shift of the mesh
```

Expand Down Expand Up @@ -63,8 +63,8 @@ Direct //`Direct' or `Cartesian' coordinate
## Band structure calculations

ABACUS uses specified high-symmetry directions of the Brillouin zone for band structure
calculations. The third line of k-point file should start with ‘Line’ or ‘Line_Cartesian’ for
line mode. ‘Line’ means the positions below are in Direct coordinates, while ‘Line_Cartesian’
calculations. The third line of k-point file should start with 'Line' or 'Line_Cartesian' for
line mode. 'Line' means the positions below are in Direct coordinates, while 'Line_Cartesian'
means in Cartesian coordinates:

```
Expand Down