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fixed some typos and such

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Jeff Nichols 1998-09-08 18:10:37 +00:00
parent 6c30290a89
commit 3d3fce5d0e
1 changed files with 6 additions and 10 deletions
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16
doc/user/dft.tex
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@ -765,7 +765,7 @@ follows,
A Gaussian orbital basis (AO) function with exponent $\zeta$
and radial factor $e^{-\zeta\cdot r_i^2}$ is
evaluated at a point $r_i$ only if
$\zeta\cdot r_i^2$ is greater than the value specified for ${\tt accAOfunc}$.
$\zeta\cdot r_i^2$ is less than the value specified for ${\tt accAOfunc}$.
The input to define a screening tolerance for evaluation of the exchange-
correlation (XC) Gaussian fitting functions is specified with the
@ -776,20 +776,18 @@ keyword \verb+accXCfunc+, as follows,
An exchange-correlation (XC) fitting function with exponent $\zeta$
and radial factor $e^{-\zeta\cdot r_i^2}$ is
evaluated at a point $r_i$ only if
$\zeta\cdot r_i^2$ is greater than the value specified for ${\tt accXCfunc}$.
$\zeta\cdot r_i^2$ is less than the value specified for ${\tt accXCfunc}$.
The input to define a screening tolerance for evaluation of the
charge-density (CD) Gaussian fitting functions is specified with the
keyword \verb+accCoul+, as follows,
keyword \verb+accCDfunc+, as follows,
\begin{verbatim}
TOLERANCES accCDfunc <integer accXCfunc default 20>
TOLERANCES accCDfunc <integer accCDfunc default 20>
\end{verbatim}
A charge-density (CD) fitting function with exponent $\zeta$
and radial factor $e^{-\zeta\cdot r_i^2}$ is evaluated at a
point $r_i$ only if $\zeta\cdot r_i^2$ is greater than ${\tt
accCoul}$.
point $r_i$ only if $\zeta\cdot r_i^2$ is less than the value
specified for ${\tt accCDfunc}$.
The input
parameter {\tt accCoul} is used to define the tolerance in Schwarz
@ -800,8 +798,6 @@ values greater than $10^{(-{\tt accCoul})}$ are evaluated.
TOLERANCES accCoul <integer accCoul default 10>
\end{verbatim}
The user also has the option of specifying the radial quadrature
grid cut-off for the DFT calculation, using the keyword
\verb+accQrad+. The input line for this option is as follows,