@@ -19,15 +19,15 @@ The net dipole moment :math:`\mu` can be easily calculated as,
1919
2020 \boldsymbol {\mu } = \int _\mathrm {cell} \rho (\mathbf {r}) \mathbf {r} d\mathbf {r}
2121
22- where the total charge density $ \r ho(\m athbf{r})$ can be decomposed as the
23- contribution from the electrons and ions (in units of e*Bohr ):
22+ where the total charge density :math: ` \rho (\mathbf {r})` can be decomposed as the
23+ contribution from the electrons and ions (in units of e*bohr ):
2424
2525.. math ::
2626
2727 \rho (\mathbf {r}) = -\rho _\mathrm {el}(\mathbf {r}) + \rho _\mathrm {ion}(\mathbf {r})
2828
2929 Correspondingly, the electric field created by this dipole moment can be
30- expressed as (in units of Hartree/Bohr )
30+ expressed as (in units of hartree/bohr )
3131
3232.. math ::
3333
@@ -37,10 +37,10 @@ To eliminate this effect, we can insert a dipole layer (by directly manipulating
3737the external potential) along certain direction. This is done in the spirit of
3838`Jörg Neugebauer and Matthias Scheffler <https://doi.org/10.1103/PhysRevB.46.16067 >`__.
3939For now, the dipole
40- correction only supports slab calculation (or equivlant ) and can only be applied
41- to the vacuum direction prependicular to the other two directions. Note that you
42- cell can be tilted but as long as the Cartesian direction specified for the
43- dipole correction is prependicular to the periodic cell direction, the result is
40+ correction only supports slab calculation (or equivalent ) and can only be applied
41+ to the vacuum direction perpendicular to the other two directions. Note that your
42+ cell can be non-orthorhombic but as long as the Cartesian direction specified for the
43+ dipole correction is perpendicular to the periodic cell direction, the result is
4444correct. The added electric field generates a potential that takes the following
4545form (assuming z direction):
4646
@@ -57,12 +57,12 @@ Following the same logic, one can add an external electric field by:
5757 and in this case, dipole correction could and should be added to make sure the
5858results are correct.
5959
60- Finally, after running ground state calculation with dipole correction, the
60+ Finally, after running a ground state calculation with dipole correction, the
6161total energy reported in the output file will contain the contribution from the
6262dipole layer. Furthermore, the output potential will also include the dipole
6363layer contribution.
6464
65- In ONETEP, dipole correction can be added by
65+ In ONETEP, the dipole correction can be added by
6666
6767.. code ::
6868
@@ -93,9 +93,9 @@ Keywords
9393- ``dipole_correction ``: [Basic, bool, default ``F ``\ ] Whether to use dipole
9494 correction or not.
9595
96- - ``dipole_correction_dir ``: [Basic, integer, define ``3 ``\ ] Direction along
96+ - ``dipole_correction_dir ``: [Basic, integer, default ``3 ``\ ] Direction along
9797 which the dipole correction is applied. ``1 ``\ , ``2 ``\ , ``3 ``\ correspond
98- to x, y, z directions respectively.
98+ to x, y, z directions, respectively.
9999
100100- ``efield_origin ``: [Basic, float float float, default 0.0 0.0 0.0] Location of
101101 the dipole layer.
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