Commit 9253573a authored by Nick R. Papior's avatar Nick R. Papior
Browse files

doc: small typo in documentation

parent bcdc95b2
...@@ -8517,8 +8517,8 @@ or interpolation of bands), can be downloaded from ...@@ -8517,8 +8517,8 @@ or interpolation of bands), can be downloaded from
makes the system neutral. This background charge is constant at makes the system neutral. This background charge is constant at
points of the mesh near the atoms, and zero at points far from the points of the mesh near the atoms, and zero at points far from the
atoms. This simulates situations like doped slabs, where the extra atoms. This simulates situations like doped slabs, where the extra
electrons (holes) are compensated by oposite charges at the material electrons (holes) are compensated by opposite charges at the material
(the ionized dopant impurities), but not at the vacuum. This serves (the ionized dopant impurities), but not at the vacuum. This serves
to simulate properly doped systems in which there are large portions to simulate properly doped systems in which there are large portions
of vacuum, such as doped slabs. of vacuum, such as doped slabs.
...@@ -8605,8 +8605,8 @@ or interpolation of bands), can be downloaded from ...@@ -8605,8 +8605,8 @@ or interpolation of bands), can be downloaded from
uncorrected calculation (i.e., with an exagerated dipole), the first uncorrected calculation (i.e., with an exagerated dipole), the first
iteration might use a compensating field that is too big, with the iteration might use a compensating field that is too big, with the
risk of taking the system out of the convergence basin. In that risk of taking the system out of the convergence basin. In that
case, it is advisable to use the case, it is advisable to use the \fdf{SCF.Mix!First}\index{Slab
\fdf{SCF.Mix!First}\index{Slab dipole correction} option to request a mix of the input and dipole correction} option to request a mix of the input and
output density matrices after that first iteration. output density matrices after that first iteration.
\note \fdf*{charge} and \fdf*{vacuum} will for many systems yield \note \fdf*{charge} and \fdf*{vacuum} will for many systems yield
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment