size consistency
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@ -70,7 +70,8 @@
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\newcommand{\efuncbasisfci}[0]{\bar{E}^\Bas[\denfci]}
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\newcommand{\efuncbasis}[0]{\bar{E}^\Bas[\den]}
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\newcommand{\efuncden}[1]{\bar{E}^\Bas[#1]}
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\newcommand{\efuncdenpbe}[1]{\bar{E}_{\text{X}}^{A+B}[#1]}
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\newcommand{\efuncdenpbe}[1]{\bar{E}_{\text{}}^\Bas[#1]}
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\newcommand{\efuncdenpbeAB}[1]{\bar{E}_{\text{A}+\text{B}}^\Bas[#1]}
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\newcommand{\ecompmodel}[0]{\bar{E}^\Bas[\denmodel]}
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\newcommand{\ecmubis}[0]{\bar{E}_{\text{c,md}}^{\text{sr}}[\denr;\,\mu]}
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\newcommand{\ecmubisldapbe}[0]{\bar{E}_{\text{c,md}\,\text{PBE}}^{\text{sr}}[\denr;\,\mu]}
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@ -85,7 +86,7 @@
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\newcommand{\emulda}[0]{\bar{\varepsilon}^{\text{sr},\text{unif}}_{\text{c,md}}\left(\denr;\mu({\bf r};\wf{}{\Bas})\right)}
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\newcommand{\emuldamodel}[0]{\bar{\varepsilon}^{\text{sr},\text{unif}}_{\text{c,md}}\left(\denmodelr;\mu({\bf r};\wf{}{\Bas})\right)}
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\newcommand{\emuldaval}[0]{\bar{\varepsilon}^{\text{sr},\text{unif}}_{\text{c,md}}\left(\denval ({\bf r});\murval;\wf{}{\Bas})\right)}
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\newcommand{\ecmd}[0]{\varepsilon^{\text{c,md}}_{\text{PBE}}}
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\newcommand{\ecmd}[0]{\bar{\varepsilon}_{\text{c,md}}^{\text{sr},\text{PBE}}}
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\newcommand{\psibasis}[0]{\Psi^{\basis}}
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\newcommand{\BasFC}{\mathcal{A}}
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@ -117,12 +118,12 @@
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%%%%%% arguments
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\newcommand{\argepbe}[0]{\den,\zeta,s}
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\newcommand{\argebasis}[0]{\den,\zeta,\ntwo,\mu_{\Psi^{A+B}}}
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\newcommand{\argebasis}[0]{\den,\zeta,\ntwo,\mu}
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\newcommand{\argecmd}[0]{\den,\zeta,s,\ntwo,\mu}
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\newcommand{\argepbeueg}[0]{\den,\zeta,s,\ntwo^{\text{UEG}},\mu_{\Psi^{\basis}}}
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\newcommand{\argepbeontxicas}[0]{\den,\zeta,s,\ntwoextrapcas,\mu_{\text{CAS}}^{\basis}}
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\newcommand{\argepbeuegXihf}[0]{\den,\tilde{\zeta},s,\ntwo^{\text{UEG}},\mu_{\Psi^{\basis}}}
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\newcommand{\argrebasis}[0]{\denr,\zeta(\br{}),s(\br{}),\ntwo(\br{}),\mu_{\Psi^{A+B}}(\br{})}
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\newcommand{\argrebasis}[0]{\denr,\zeta(\br{}),s(\br{}),\ntwo(\br{}),\mu(\br{})}
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\newcommand{\argrebasisab}[0]{\denr,\zeta(\br{}),s,\ntwo(\br{}),\mu_{\Psi^{\basis}}(\br{})}
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@ -282,25 +283,63 @@
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\maketitle
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\section{Size consistency of the basis-set correction}
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\subsection{General considerations}
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The following paragraph proposes a proof of the size consistency of the basis-set correction in the limit of dissociated fragments.
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The present basis-set correction being an integral in real space,
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The following paragraph gives a proof of the size consistency of the basis-set correction. The basis-set correction is expressed as an integral in real space
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\begin{equation}
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\label{eq:def_ecmdpbebasis}
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\begin{aligned}
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& \efuncdenpbe{\argebasis} = \\ & \int \text{d}\br{} \,\denr \ecmd(\argrebasis),
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\end{aligned}
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\end{equation}
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where all the quantities $\argrebasis$ are obtained from the same wave function $\Psi^{A+B}$.
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Such an integral can be rewritten as the sum of the contribution on $A$ and $B$
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where all the local quantities $\argrebasis$ are obtained from the same wave function $\Psi$. In the limit of two dissociated fragments $\text{A}+\text{B}$, this integral can be rewritten as the sum of the integral over the region $\Omega_\text{A}$ and the integral over the region $\Omega_\text{B}$
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\begin{equation}
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\label{eq:def_ecmdpbebasis}
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\begin{aligned}
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& \efuncdenpbe{\argebasis} = \\ & \int_{ \br{} \in A} \text{d}\br{} \,\denr \ecmd(\argrebasis) \\ & + \int_{ \br{} \in B} \text{d}\br{} \,\denr \ecmd(\argrebasis),
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& \efuncdenpbeAB{\argebasis} = \\ & \int_{\Omega_\text{A}} \text{d}\br{} \,\denr \ecmd(\argrebasis) \\ & + \int_{\Omega_\text{B}} \text{d}\br{} \,\denr \ecmd(\argrebasis).
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\end{aligned}
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\end{equation}
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Therefore, a sufficient condition to obtain size extensivity in the limit of dissociated fragments is that all arguments entering in the function $\ecmd(\argrebasis)$ are \textit{intensive}, which means that they \textit{locally} coincide in the system $A$ and in the sub system $A$ of the super system $A+B$.
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Therefore, a sufficient condition to obtain size consistency is that all the local quantities $\argrebasis$ are \textit{intensive}, i.e. that they \textit{locally} coincide in the supersystem $\text{A}+\text{B}$ and in each isolated fragment $\text{X}=\text{A}$ or $\text{B}$. Hence, for $\br{} \in \Omega_\text{X}$, we should have
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\begin{subequations}
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\begin{equation}
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n_\text{A+B}(\br{}) = n_\text{X}(\br{}),
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\label{nAB}
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\end{equation}
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\begin{equation}
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\zeta_\text{A+B}(\br{}) = \zeta_\text{X}(\br{}),
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\label{zAB}
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\end{equation}
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\begin{equation}
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s_\text{A+B}(\br{}) = s_\text{X}(\br{}),
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\label{sAB}
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\end{equation}
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\begin{equation}
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n_{2,\text{A+B}}(\br{}) = n_{2,\text{X}}(\br{}),
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\label{n2AB}
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\end{equation}
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\begin{equation}
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\mu_{\text{A+B}}(\br{}) = \mu_{\text{X}}(\br{}),
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\label{muAB}
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\end{equation}
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\end{subequations}
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where the left-hand-side quantities are for the supersystem and the right-hand-side quantities for an isolated fragment. Such conditions can be difficult to fulfil in the presence of degeneracies since the system X can be in a different mixed state (i.e. ensemble) in the supersystem $\text{A}+\text{B}$ and in the isolated fragment~\cite{Sav-CP-09}. Here, we will consider the simple case where the wave function of the supersystem is multiplicatively separable, i.e.
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\begin{equation}
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\ket{\wf{\text{A}+\text{B}}{}} = \ket{\wf{\text{A}}{}} \otimes \ket{\wf{\text{B}}{}},
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\end{equation}
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where $\otimes$ is the antisymmetric tensor product. In this case, it is well known that Eqs.~(\ref{nAB})-(\ref{sAB}) are valid and it remains to show that Eqs.~(\ref{n2AB}) and~(\ref{muAB}) are also valid.
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For spatial degeneracies such as different p states, by selected the same member of the ensemble in the supersystem and the isolated fragements.
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applies to the systems treated in this work.
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Even though this does deal with the case of degeneracies,
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To avoid difficulties arising from spin-multiplet degeneracy, we can use the effective spin polarization $\tilde{\zeta}(n(\br{}),n_{2}(\br{}))$ depending only on $n(\br{})$ and $n_{2}(\br{})$ or a zero spin polarization $\zeta(\br{}) = 0$.
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Regarding the density and its gradients, these are necessary intensive quantities. The remaining questions are therefore the local range-separation parameter $\murpsi$ and the on-top pair density.
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@ -565,8 +565,11 @@ Therefore, following other authors, \cite{MieStoSav-MP-97,LimCarLuoMaOlsTruGag-J
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An alternative way to eliminate the $S_z$ dependency is to simply set $\zeta=0$, \ie, to resort to the spin-unpolarized functional. This lowers the accuracy for open-shell systems at $\mu=0$, \ie, for the usual PBE correlation functional $\varepsilon_{\text{c}}^{\text{PBE}}(\argepbe)$. Nevertheless, we argue that, for sufficiently large $\mu$, it is a viable option. Indeed, the purpose of introducing the spin polarization in semilocal density-functional approximations is to mimic the exact on-top pair density, \cite{PerSavBur-PRA-95} but our functional $\ecmd(\argecmd)$ already explicitly depends on the on-top pair density [see Eqs.~\eqref{eq:def_ecmdpbe} and \eqref{eq:def_beta}]. The dependencies on $\zeta$ and $n_2$ can thus be expected to be largely redundant. Consequently, we propose here to test the $\ecmd$ functional with \textit{a zero spin polarization}. This ensures its $S_z$ independence and, as will be numerically demonstrated, very weakly affects the complementary functional accuracy.
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\subsubsection{Size consistency}
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cite~\cite{Sav-CP-09} here
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Since $\efuncdenpbe{\argebasis}$ is computed via a single integral over $\mathbb{R}^3$ [see Eq.~\eqref{eq:def_ecmdpbebasis}] which involves only local quantities [$n(\br{})$, $\zeta(\br{})$, $s(\br{})$, $n_2(\br{})$, and $\mu(\br{})$], in the case of non-overlapping fragments \ce{A\bond{...}B}, it can be written as the sum of two local contributions: one coming from the integration over the region of subsystem \ce{A} and the other one from the region of subsystem \ce{B}. Therefore, a sufficient condition for size consistency is that these local quantities coincide in the isolated systems and in the subsystems of the supersystem \ce{A\bond{...}B}. Since these local quantities are calculated from the wave function $\psibasis$, a sufficient condition is that the wave function is multiplicatively separable in the limit of non-interacting fragments, \ie, $\Psi_{\ce{A\bond{...}B}}^{\basis} = \Psi_{\ce{A}}^{\basis} \Psi_{\ce{B}}^{\basis}$.
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We refer the interested reader to the {\SI} for a detailed proof of the latter statement.
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In the case where the two subsystems \ce{A} and \ce{B} dissociate in closed-shell systems, a simple RHF wave function ensures this property, but when one or several covalent bonds are broken, a properly chosen CASSCF wave function is sufficient to recover this property. The underlying active space must however be chosen in such a way that it leads to size-consistent energies in the limit of dissociated fragments.
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|
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|
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|
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48.051 9.852 m 51.75 9.852 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 9.852 m 341.449 9.852 l S Q
|
||||
BT
|
||||
8 0 0 8 35.292969 202.25 Tm
|
||||
8 0 0 -8 35.317188 12.875781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 0)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
48.051 186.75 m 48.051 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
48.051 10.75 m 48.051 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
48.051 9.852 m 48.051 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 44.207031 16.949219 Tm
|
||||
8 0 0 -8 44.233594 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
97.551 186.75 m 97.551 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
97.551 10.75 m 97.551 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
97.551 9.852 m 97.551 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 89.890625 16.949219 Tm
|
||||
8 0 0 -8 89.917188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
147.102 186.75 m 147.102 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
147.102 10.75 m 147.102 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
147.102 9.852 m 147.102 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 143.257812 16.949219 Tm
|
||||
8 0 0 -8 143.283594 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.602 186.75 m 196.602 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.602 10.75 m 196.602 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.602 9.852 m 196.602 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 188.941406 16.949219 Tm
|
||||
8 0 0 -8 188.967188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
246.102 186.75 m 246.102 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
246.102 10.75 m 246.102 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
246.102 9.852 m 246.102 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 242.257812 16.949219 Tm
|
||||
8 0 0 -8 242.283594 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 4)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
295.648 186.75 m 295.648 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
295.648 10.75 m 295.648 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
295.648 9.852 m 295.648 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 287.992188 16.949219 Tm
|
||||
8 0 0 -8 288.017188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 4.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 186.75 m 345.148 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 10.75 m 345.148 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 9.852 m 345.148 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 341.308594 16.949219 Tm
|
||||
8 0 0 -8 341.333594 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
48.051 10.75 297.098 176 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
48.051 9.852 297.098 176.898 re S Q
|
||||
BT
|
||||
0 8 -8 0 10.699219 83.726562 Tm
|
||||
0 -8 -8 0 11.175781 131.846875 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(Ener)18(gy \(Hartr)22(ee\))]TJ
|
||||
8 0 0 8 139.554688 3 Tm
|
||||
8 0 0 -8 139.580469 213.025781 Tm
|
||||
(Inter atomic distance \(a.u.\) )Tj
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
77.75 24.801 m 80.449 38.051 l 83.148 51.102 l 85.852 63.699 l 88.551 75.699
|
||||
l 91.25 86.898 l 93.949 97.051 l 96.648 106 l 99.352 113.5 l 102.051 119.602
|
||||
l 104.75 124.398 l 107.449 128.102 l 110.148 130.801 l 112.852 132.648
|
||||
l 115.551 133.75 l 118.25 134.301 l 120.949 134.449 l 123.699 134.25 l 126.398
|
||||
133.699 l 129.102 132.898 l 131.801 131.801 l 134.5 130.398 l 137.199 128.852
|
||||
l 139.898 127.051 l 142.602 125.051 l 145.301 122.898 l 148 120.551 l 150.699
|
||||
118.148 l 153.398 115.602 l 156.102 112.898 l 158.801 110.148 l 161.5 107.352
|
||||
l 164.199 104.449 l 166.898 101.5 l 169.602 98.5 l 172.301 95.5 l 175 92.449
|
||||
l 177.699 89.449 l 180.398 86.398 l 183.102 83.398 l 188.5 77.5 l 191.199
|
||||
74.648 l 193.898 71.898 l 196.602 69.199 l 199.301 66.551 l 202 64.051
|
||||
l 204.699 61.648 l 207.398 59.301 l 210.102 57.102 l 212.801 54.949 l 215.5
|
||||
52.852 l 218.199 50.898 l 220.898 48.949 l 223.602 47.148 l 226.301 45.398
|
||||
l 229 43.699 l 231.699 42.051 l 234.398 40.5 l 237.102 39.051 l 239.801
|
||||
37.602 l 245.199 34.898 l 247.898 33.648 l 250.602 32.449 l 253.301 31.301
|
||||
l 256 30.199 l 258.699 29.148 l 261.398 28.102 l 264.102 27.148 l 269.5
|
||||
25.352 l 272.25 24.5 l 274.949 23.699 l 277.648 22.949 l 280.352 22.25
|
||||
l 283.051 21.551 l 285.75 20.898 l 288.449 20.301 l 291.148 19.75 l 293.852
|
||||
19.199 l 299.25 18.199 l 304.648 17.301 l 307.352 16.898 l 310.051 16.551
|
||||
l 312.75 16.199 l 315.449 15.852 l 318.148 15.551 l 320.852 15.25 l 331.648
|
||||
14.25 l 334.352 14.051 l 337.051 13.852 l 339.75 13.699 l 342.449 13.5
|
||||
l 345.148 13.352 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
77.75 24 m 80.449 37.301 l 83.148 50.398 l 85.852 63.102 l 88.551 75.148
|
||||
l 91.25 86.398 l 93.949 96.602 l 96.648 105.602 l 99.352 113.102 l 102.051
|
||||
119.25 l 104.75 124.102 l 107.449 127.801 l 110.148 130.5 l 112.852 132.352
|
||||
l 115.551 133.5 l 118.25 134.051 l 120.949 134.199 l 123.699 133.949 l
|
||||
126.398 133.449 l 129.102 132.602 l 131.801 131.5 l 134.5 130.148 l 137.199
|
||||
128.551 l 139.898 126.699 l 142.602 124.699 l 145.301 122.551 l 148 120.25
|
||||
l 150.699 117.801 l 153.398 115.199 l 156.102 112.551 l 158.801 109.801
|
||||
l 161.5 106.949 l 164.199 104.051 l 166.898 101.051 l 169.602 98.051 l
|
||||
172.301 95.051 l 180.398 85.898 l 183.102 82.898 l 185.801 79.898 l 188.5
|
||||
76.949 l 191.199 74.102 l 193.898 71.301 l 196.602 68.551 l 199.301 65.949
|
||||
l 202 63.449 l 204.699 61 l 207.398 58.648 l 210.102 56.398 l 212.801 54.25
|
||||
l 215.5 52.199 l 218.199 50.199 l 220.898 48.25 l 223.602 46.449 l 226.301
|
||||
44.648 l 229 42.949 l 231.699 41.352 l 234.398 39.75 l 237.102 38.301 l
|
||||
239.801 36.852 l 242.5 35.449 l 245.199 34.148 l 247.898 32.898 l 250.602
|
||||
31.648 l 253.301 30.5 l 256 29.398 l 258.699 28.301 l 261.398 27.301 l
|
||||
264.102 26.352 l 266.801 25.398 l 269.5 24.5 l 272.25 23.699 l 274.949 22.898
|
||||
l 277.648 22.102 l 280.352 21.398 l 283.051 20.699 l 285.75 20.051 l 288.449
|
||||
19.449 l 291.148 18.898 l 293.852 18.352 l 296.551 17.801 l 299.25 17.352
|
||||
l 301.949 16.852 l 304.648 16.449 l 307.352 16.051 l 310.051 15.648 l 312.75
|
||||
15.301 l 315.449 15 l 318.148 14.648 l 320.852 14.398 l 323.551 14.102
|
||||
l 328.949 13.602 l 331.648 13.398 l 334.352 13.199 l 339.75 12.801 l 342.449
|
||||
12.648 l 345.148 12.449 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 9.333008 263.398438 56.563477 Tm
|
||||
9.333008 0 0 -9.333008 260.802441 159.463086 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(/)12(a)22(v)21(d)23(z)]TJ
|
||||
(FCI/avdz)Tj
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
74.75 21.801 m 80.75 27.801 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
74.75 27.801 m 80.75 21.801 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
94.551 105.648 m 100.551 111.648 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
94.551 111.648 m 100.551 105.648 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
116.852 131.449 m 122.852 137.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
116.852 137.449 m 122.852 131.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
144.102 118.352 m 150.102 124.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
144.102 124.352 m 150.102 118.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
193.602 66.199 m 199.602 72.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
193.602 72.199 m 199.602 66.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
243.102 31.5 m 249.102 37.5 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
243.102 37.5 m 249.102 31.5 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 10.352 m 348.148 16.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 16.352 m 348.148 10.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
317.949 152.949 m 323.949 158.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
317.949 158.949 m 323.949 152.949 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
74.75 21 m 80.75 27 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
74.75 27 m 80.75 21 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
94.551 105.25 m 100.551 111.25 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
94.551 111.25 m 100.551 105.25 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
116.852 131.148 m 122.852 137.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
116.852 137.148 m 122.852 131.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
144.102 118 m 150.102 124 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
144.102 124 m 150.102 118 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
193.602 65.551 m 199.602 71.551 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
193.602 71.551 m 199.602 65.551 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
243.102 30.699 m 249.102 36.699 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
243.102 36.699 m 249.102 30.699 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 9.449 m 348.148 15.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 15.449 m 348.148 9.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
317.352 152.949 m 323.352 158.949 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
317.352 158.949 m 323.352 152.949 l S Q
|
||||
0 g
|
||||
q 1 0 0 -1 0 216 cm
|
||||
77.75 50.301 m 80.449 62.551 l 83.148 74.602 l 85.852 86.25 l 88.551 97.301
|
||||
l 91.25 107.551 l 93.949 116.75 l 96.648 124.801 l 99.352 131.398 l 102.051
|
||||
136.648 l 104.75 140.699 l 107.449 143.602 l 110.148 145.5 l 112.852 146.648
|
||||
l 115.551 147.051 l 118.25 146.949 l 120.949 146.398 l 123.699 145.551
|
||||
l 126.398 144.398 l 129.102 142.949 l 131.801 141.301 l 134.5 139.352 l
|
||||
137.199 137.25 l 139.898 134.949 l 142.602 132.449 l 145.301 129.801 l 148
|
||||
127.051 l 150.699 124.199 l 153.398 121.25 l 156.102 118.199 l 158.801
|
||||
115.051 l 161.5 111.898 l 166.898 105.398 l 169.602 102.102 l 172.301 98.801
|
||||
l 175 95.551 l 177.699 92.25 l 180.398 89 l 183.102 85.75 l 185.801 82.602
|
||||
l 188.5 79.5 l 191.199 76.449 l 193.898 73.5 l 196.602 70.602 l 199.301
|
||||
67.852 l 202 65.199 l 204.699 62.699 l 207.398 60.25 l 210.102 57.898 l
|
||||
212.801 55.648 l 215.5 53.5 l 218.199 51.398 l 220.898 49.398 l 223.602
|
||||
47.5 l 226.301 45.699 l 229 43.949 l 231.699 42.25 l 234.398 40.648 l 237.102
|
||||
39.148 l 239.801 37.648 l 242.5 36.25 l 245.199 34.898 l 247.898 33.602
|
||||
l 250.602 32.352 l 253.301 31.199 l 256 30.051 l 258.699 28.949 l 261.398
|
||||
27.898 l 264.102 26.949 l 266.801 26 l 269.5 25.102 l 272.25 24.25 l 277.648
|
||||
22.648 l 280.352 21.949 l 283.051 21.25 l 285.75 20.602 l 291.148 19.398
|
||||
l 293.852 18.852 l 299.25 17.852 l 301.949 17.398 l 304.648 16.949 l 307.352
|
||||
16.551 l 310.051 16.199 l 312.75 15.852 l 315.449 15.5 l 318.148 15.199
|
||||
l 320.852 14.949 l 323.551 14.648 l 326.25 14.398 l 328.949 14.199 l 331.648
|
||||
13.949 l 334.352 13.75 l 337.051 13.602 l 339.75 13.398 l 345.148 13.102
|
||||
l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
77.75 49.602 m 80.449 61.949 l 83.148 74.051 l 85.852 85.75 l 88.551 96.852
|
||||
l 91.25 107.148 l 93.949 116.398 l 96.648 124.5 l 99.352 131.148 l 102.051
|
||||
136.398 l 104.75 140.449 l 107.449 143.352 l 110.148 145.301 l 112.852
|
||||
146.398 l 115.551 146.852 l 118.25 146.75 l 120.949 146.199 l 123.699 145.352
|
||||
l 126.398 144.148 l 129.102 142.75 l 131.801 141.051 l 134.5 139.148 l
|
||||
137.199 137 l 139.898 134.648 l 142.602 132.148 l 145.301 129.551 l 148
|
||||
126.75 l 150.699 123.852 l 153.398 120.898 l 156.102 117.852 l 158.801 114.699
|
||||
l 161.5 111.5 l 166.898 105 l 169.602 101.699 l 172.301 98.352 l 177.699
|
||||
91.75 l 180.398 88.5 l 183.102 85.25 l 185.801 82.051 l 188.5 78.949 l
|
||||
191.199 75.852 l 193.898 72.898 l 196.602 70.051 l 199.301 67.25 l 202 64.602
|
||||
l 204.699 62.051 l 207.398 59.602 l 210.102 57.25 l 212.801 54.949 l 215.5
|
||||
52.801 l 218.199 50.699 l 220.898 48.699 l 223.602 46.801 l 226.301 44.949
|
||||
l 229 43.199 l 231.699 41.551 l 234.398 39.898 l 237.102 38.352 l 239.801
|
||||
36.898 l 245.199 34.102 l 247.898 32.801 l 250.602 31.551 l 253.301 30.398
|
||||
l 256 29.25 l 258.699 28.148 l 261.398 27.102 l 264.102 26.102 l 266.801
|
||||
25.148 l 269.5 24.25 l 272.25 23.398 l 274.949 22.602 l 277.648 21.852
|
||||
l 280.352 21.102 l 283.051 20.398 l 285.75 19.75 l 288.449 19.148 l 291.148
|
||||
18.551 l 293.852 18 l 299.25 17 l 304.648 16.102 l 307.352 15.699 l 310.051
|
||||
15.352 l 315.449 14.648 l 318.148 14.352 l 320.852 14.051 l 328.949 13.301
|
||||
l 331.648 13.102 l 334.352 12.898 l 339.75 12.5 l 342.449 12.352 l 345.148
|
||||
12.199 l S Q
|
||||
BT
|
||||
9.333008 0 0 9.333008 218.9375 45.688477 Tm
|
||||
9.333008 0 0 -9.333008 214.670557 170.313086 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(+)30(P)21(B)25(E)22(o)22(t)14(0)]TJ
|
||||
(FCI+PBEot0)Tj
|
||||
/f-0-1 1 Tf
|
||||
[<>23<01>]TJ
|
||||
<01>Tj
|
||||
/f-0-0 1 Tf
|
||||
[()19(/)12(a)22(v)21(d)23(z)]TJ
|
||||
(/avdz)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
74.75 52.301 m 77.75 47.301 l 80.75 52.301 l h
|
||||
74.75 52.301 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
94.551 129.148 m 97.551 124.148 l 100.551 129.148 l h
|
||||
94.551 129.148 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
116.852 148.648 m 119.852 143.648 l 122.852 148.648 l h
|
||||
116.852 148.648 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
144.102 130 m 147.102 125 l 150.102 130 l h
|
||||
144.102 130 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
193.602 72.602 m 196.602 67.602 l 199.602 72.602 l h
|
||||
193.602 72.602 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
243.102 36.449 m 246.102 31.449 l 249.102 36.449 l h
|
||||
243.102 36.449 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 15.102 m 345.148 10.102 l 348.148 15.102 l h
|
||||
342.148 15.102 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
317.949 168.801 m 320.949 163.801 l 323.949 168.801 l h
|
||||
317.949 168.801 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
74.75 51.602 m 77.75 46.602 l 80.75 51.602 l h
|
||||
74.75 51.602 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
94.551 128.852 m 97.551 123.852 l 100.551 128.852 l h
|
||||
94.551 128.852 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
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53.148 128.102 m 56.852 128.102 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 128.102 m 341.449 128.102 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 127.801 m 56.852 127.801 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 127.801 m 341.449 127.801 l S Q
|
||||
BT
|
||||
8 0 0 8 27.324219 84.898438 Tm
|
||||
8 0 0 -8 27.350781 130.825781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.05)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 108.551 m 56.852 108.551 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 108.551 m 341.449 108.551 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 108.148 m 56.852 108.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 108.148 m 341.449 108.148 l S Q
|
||||
BT
|
||||
8 0 0 8 22.234375 104.449219 Tm
|
||||
8 0 0 -8 22.260938 111.175781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.045)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 88.949 m 56.852 88.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 88.949 m 341.449 88.949 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 88.449 m 56.852 88.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 88.449 m 341.449 88.449 l S Q
|
||||
BT
|
||||
8 0 0 8 27.324219 124.050781 Tm
|
||||
8 0 0 -8 27.350781 91.475781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.04)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 69.398 m 56.852 69.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 69.398 m 341.449 69.398 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 68.801 m 56.852 68.801 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 68.801 m 341.449 68.801 l S Q
|
||||
BT
|
||||
8 0 0 8 22.234375 143.597656 Tm
|
||||
8 0 0 -8 22.260938 71.825781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.035)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 49.852 m 56.852 49.852 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 49.852 m 341.449 49.852 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 49.148 m 56.852 49.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 49.148 m 341.449 49.148 l S Q
|
||||
BT
|
||||
8 0 0 8 27.324219 163.148438 Tm
|
||||
8 0 0 -8 27.350781 52.175781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.03)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 30.301 m 56.852 30.301 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 30.301 m 341.449 30.301 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 29.5 m 56.852 29.5 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 29.5 m 341.449 29.5 l S Q
|
||||
BT
|
||||
8 0 0 8 22.234375 182.699219 Tm
|
||||
8 0 0 -8 22.260938 32.525781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.025)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 10.75 m 56.852 10.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 10.75 m 341.449 10.75 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 9.852 m 56.852 9.852 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
345.148 9.852 m 341.449 9.852 l S Q
|
||||
BT
|
||||
8 0 0 8 27.324219 202.25 Tm
|
||||
8 0 0 -8 27.350781 12.875781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(-0.02)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
82.352 186.75 m 82.352 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
82.352 10.75 m 82.352 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
82.352 9.852 m 82.352 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 74.691406 16.949219 Tm
|
||||
8 0 0 -8 74.717188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2.6)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
140.75 186.75 m 140.75 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
140.75 10.75 m 140.75 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
140.75 9.852 m 140.75 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 133.09375 16.949219 Tm
|
||||
8 0 0 -8 133.117188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2.8)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
199.148 186.75 m 199.148 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
199.148 10.75 m 199.148 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
199.148 9.852 m 199.148 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 195.308594 16.949219 Tm
|
||||
8 0 0 -8 195.333594 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
257.551 186.75 m 257.551 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
257.551 10.75 m 257.551 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
257.551 9.852 m 257.551 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 249.890625 16.949219 Tm
|
||||
8 0 0 -8 249.917188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3.2)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
q 1 0 0 1 0 0 cm
|
||||
315.949 186.75 m 315.949 183.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
315.949 10.75 m 315.949 14.449 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
315.949 9.852 m 315.949 13.551 l S Q
|
||||
BT
|
||||
8 0 0 8 308.292969 16.949219 Tm
|
||||
8 0 0 -8 308.317188 199.075781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3.4)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 10.75 292 176 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 9.852 292 176.898 re S Q
|
||||
BT
|
||||
0 8 -8 0 10.699219 83.726562 Tm
|
||||
0 -8 -8 0 11.175781 131.846875 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(Ener)18(gy \(Hartr)22(ee\))]TJ
|
||||
8 0 0 8 142.105469 3 Tm
|
||||
8 0 0 -8 142.130469 213.025781 Tm
|
||||
(Inter atomic distance \(a.u.\) )Tj
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 84.801 m 56.102 89.148 l 59.051 93.148 l 62 96.801 l 64.949 100.25
|
||||
l 67.898 103.352 l 70.852 106.199 l 73.801 108.852 l 76.75 111.199 l 79.699
|
||||
113.352 l 82.648 115.25 l 85.602 116.949 l 88.551 118.449 l 91.5 119.75
|
||||
l 94.449 120.898 l 97.398 121.852 l 100.352 122.648 l 103.301 123.352 l
|
||||
106.25 123.898 l 109.199 124.301 l 112.148 124.602 l 115.102 124.801 l
|
||||
118.051 124.898 l 121 124.949 l 123.949 124.898 l 126.898 124.801 l 129.852
|
||||
124.648 l 132.801 124.398 l 135.75 124.102 l 138.699 123.699 l 141.648
|
||||
123.301 l 144.602 122.801 l 147.551 122.199 l 150.5 121.602 l 153.449 120.949
|
||||
l 156.398 120.199 l 159.352 119.449 l 162.301 118.602 l 165.25 117.699
|
||||
l 168.199 116.801 l 171.148 115.801 l 174.102 114.801 l 177.051 113.75 l
|
||||
180 112.648 l 182.949 111.5 l 185.898 110.301 l 188.852 109.102 l 191.801
|
||||
107.852 l 197.699 105.25 l 200.602 103.898 l 203.551 102.551 l 206.5 101.148
|
||||
l 212.398 98.25 l 215.352 96.801 l 218.301 95.301 l 221.25 93.75 l 224.199
|
||||
92.25 l 227.148 90.699 l 230.102 89.102 l 236 85.898 l 241.898 82.602 l
|
||||
244.852 80.949 l 247.801 79.301 l 250.75 77.602 l 253.699 75.898 l 256.648
|
||||
74.199 l 259.602 72.5 l 262.551 70.801 l 268.449 67.301 l 271.398 65.602
|
||||
l 274.352 63.852 l 286.148 56.852 l 289.102 55.102 l 297.949 49.852 l 300.898
|
||||
48.148 l 303.852 46.398 l 309.75 43 l 312.699 41.25 l 315.648 39.602 l
|
||||
318.602 37.898 l 321.551 36.25 l 324.5 34.551 l 327.449 32.949 l 330.398
|
||||
31.301 l 333.352 29.699 l 336.301 28.102 l 339.25 26.5 l 345.148 23.398
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 84.301 m 56.102 88.648 l 59.051 92.648 l 62 96.352 l 64.949 99.801
|
||||
l 67.898 102.949 l 70.852 105.801 l 73.801 108.449 l 76.75 110.801 l 79.699
|
||||
112.949 l 82.648 114.852 l 85.602 116.602 l 88.551 118.102 l 91.5 119.398
|
||||
l 94.449 120.551 l 97.398 121.5 l 100.352 122.352 l 103.301 123 l 106.25
|
||||
123.551 l 109.199 123.949 l 112.148 124.301 l 115.102 124.5 l 118.051 124.602
|
||||
l 121 124.648 l 123.949 124.602 l 126.898 124.5 l 129.852 124.352 l 132.801
|
||||
124.102 l 138.699 123.398 l 141.648 122.949 l 144.602 122.449 l 147.551
|
||||
121.898 l 153.449 120.602 l 156.398 119.852 l 159.352 119.102 l 162.301
|
||||
118.25 l 165.25 117.352 l 168.199 116.449 l 171.148 115.449 l 174.102 114.449
|
||||
l 177.051 113.352 l 180 112.25 l 182.949 111.102 l 185.898 109.898 l 188.852
|
||||
108.699 l 191.801 107.449 l 194.75 106.148 l 197.699 104.852 l 200.602
|
||||
103.5 l 203.551 102.102 l 206.5 100.699 l 212.398 97.801 l 215.352 96.352
|
||||
l 218.301 94.801 l 221.25 93.301 l 227.148 90.199 l 230.102 88.602 l 233.051
|
||||
87 l 236 85.352 l 238.949 83.75 l 241.898 82.102 l 244.852 80.398 l 247.801
|
||||
78.75 l 253.699 75.352 l 256.648 73.648 l 259.602 71.898 l 262.551 70.199
|
||||
l 271.398 64.949 l 274.352 63.199 l 286.148 56.199 l 289.102 54.398 l 297.949
|
||||
49.148 l 300.898 47.449 l 303.852 45.699 l 306.801 43.949 l 315.648 38.852
|
||||
l 318.602 37.148 l 321.551 35.449 l 324.5 33.801 l 327.449 32.148 l 330.398
|
||||
30.5 l 333.352 28.898 l 336.301 27.301 l 339.25 25.699 l 342.199 24.102
|
||||
l 345.148 22.602 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 -9.333008 113.602441 22.513086 Tm
|
||||
/f-0-0 1 Tf
|
||||
(FCI/avdz)Tj
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 1 0 0 cm
|
||||
50.148 81.301 m 56.148 87.301 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
50.148 87.301 m 56.148 81.301 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
115.852 121.602 m 121.852 127.602 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
115.852 127.602 m 121.852 121.602 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.148 101.148 m 202.148 107.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.148 107.148 m 202.148 101.148 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 19.602 m 348.148 25.602 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 25.602 m 348.148 19.602 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
170.148 16 m 176.148 22 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
170.148 22 m 176.148 16 l S Q
|
||||
0.580392 0 0.827451 rg
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 114.301 m 56.102 118.102 l 59.051 121.551 l 62 124.699 l 64.949
|
||||
127.602 l 67.898 130.199 l 70.852 132.551 l 73.801 134.699 l 76.75 136.551
|
||||
l 79.699 138.199 l 82.648 139.602 l 85.602 140.801 l 88.551 141.852 l 91.5
|
||||
142.699 l 94.449 143.352 l 97.398 143.852 l 100.352 144.199 l 103.301 144.449
|
||||
l 106.25 144.551 l 109.199 144.5 l 112.148 144.398 l 115.102 144.148 l
|
||||
118.051 143.852 l 121 143.449 l 123.949 143 l 126.898 142.5 l 129.852 141.898
|
||||
l 132.801 141.25 l 135.75 140.551 l 138.699 139.801 l 141.648 139 l 144.602
|
||||
138.102 l 147.551 137.148 l 150.5 136.199 l 153.449 135.148 l 156.398 134.051
|
||||
l 159.352 132.898 l 162.301 131.75 l 168.199 129.25 l 171.148 127.949 l
|
||||
174.102 126.602 l 177.051 125.199 l 182.949 122.301 l 185.898 120.801 l
|
||||
188.852 119.301 l 191.801 117.75 l 194.75 116.148 l 197.699 114.551 l 200.602
|
||||
112.949 l 203.551 111.301 l 206.5 109.602 l 209.449 107.898 l 212.398 106.199
|
||||
l 215.352 104.449 l 221.25 100.949 l 224.199 99.148 l 227.148 97.352 l
|
||||
230.102 95.551 l 233.051 93.75 l 236 91.898 l 238.949 90.051 l 241.898 88.199
|
||||
l 244.852 86.301 l 247.801 84.449 l 250.75 82.551 l 253.699 80.648 l 256.648
|
||||
78.75 l 259.602 76.852 l 262.551 74.949 l 265.5 73 l 268.449 71.102 l 271.398
|
||||
69.199 l 274.352 67.301 l 277.301 65.352 l 280.25 63.449 l 283.199 61.551
|
||||
l 286.148 59.648 l 289.102 57.75 l 292.051 55.852 l 295 53.949 l 297.949
|
||||
52.051 l 300.898 50.199 l 303.852 48.352 l 309.75 44.648 l 312.699 42.801
|
||||
l 315.648 41 l 318.602 39.199 l 321.551 37.398 l 330.398 32.148 l 333.352
|
||||
30.449 l 339.25 27.051 l 342.199 25.398 l 345.148 23.75 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 -9.333008 61.133838 33.363037 Tm
|
||||
/f-0-0 1 Tf
|
||||
(FCI+PBE-UEG)Tj
|
||||
/f-0-1 1 Tf
|
||||
<01>Tj
|
||||
/f-0-0 1 Tf
|
||||
6.918217 0.600016 Td
|
||||
(-)Tj
|
||||
0.271973 -0.600016 Td
|
||||
(/avdz)Tj
|
||||
ET
|
||||
0.580392 0 0.827451 rg
|
||||
q 1 0 0 1 0 0 cm
|
||||
50.148 111.301 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
115.852 140.75 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.148 110.75 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 20.75 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
170.148 26.852 6 6 re S Q
|
||||
0.901961 0.623529 0 rg
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 114.449 m 56.102 118.301 l 59.051 121.801 l 62 125 l 64.949 127.949
|
||||
l 67.898 130.602 l 70.852 133 l 73.801 135.148 l 76.75 137.051 l 79.699
|
||||
138.699 l 82.648 140.199 l 85.602 141.449 l 88.551 142.5 l 91.5 143.352
|
||||
l 94.449 144.102 l 97.398 144.602 l 100.352 145 l 103.301 145.25 l 106.25
|
||||
145.398 l 109.199 145.398 l 112.148 145.301 l 115.102 145.102 l 118.051
|
||||
144.852 l 121 144.449 l 123.949 144.051 l 126.898 143.551 l 129.852 143
|
||||
l 132.801 142.398 l 135.75 141.699 l 138.699 140.949 l 141.648 140.148
|
||||
l 144.602 139.301 l 147.551 138.398 l 150.5 137.449 l 153.449 136.449 l
|
||||
156.398 135.352 l 159.352 134.25 l 162.301 133.102 l 165.25 131.898 l 168.199
|
||||
130.602 l 171.148 129.352 l 174.102 128 l 177.051 126.648 l 180 125.199
|
||||
l 182.949 123.801 l 185.898 122.301 l 188.852 120.801 l 194.75 117.699
|
||||
l 197.699 116.102 l 200.602 114.5 l 203.551 112.852 l 206.5 111.199 l 212.398
|
||||
107.801 l 215.352 106.051 l 224.199 100.801 l 227.148 99 l 230.102 97.199
|
||||
l 233.051 95.352 l 238.949 91.648 l 241.898 89.801 l 244.852 87.949 l 247.801
|
||||
86.051 l 250.75 84.199 l 253.699 82.301 l 256.648 80.398 l 259.602 78.5
|
||||
l 262.551 76.551 l 265.5 74.648 l 268.449 72.75 l 271.398 70.801 l 274.352
|
||||
68.898 l 277.301 67 l 280.25 65.051 l 283.199 63.148 l 286.148 61.25 l
|
||||
289.102 59.352 l 292.051 57.449 l 295 55.551 l 297.949 53.648 l 300.898
|
||||
51.801 l 303.852 49.898 l 306.801 48.051 l 309.75 46.199 l 312.699 44.352
|
||||
l 315.648 42.551 l 318.602 40.75 l 324.5 37.148 l 330.398 33.648 l 333.352
|
||||
31.898 l 336.301 30.199 l 339.25 28.551 l 342.199 26.852 l 345.148 25.199
|
||||
l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 9.333008 111.800781 192.610352 Tm
|
||||
9.333008 0 0 -9.333008 75.092334 44.213037 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(/)12(a)22(v)21(d)23(z)]TJ
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
50.148 81.801 m 56.148 87.801 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
50.148 87.801 m 56.148 81.801 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
115.852 121.949 m 121.852 127.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
115.852 127.949 m 121.852 121.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.148 101.602 m 202.148 107.602 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.148 107.602 m 202.148 101.602 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 20.398 m 348.148 26.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 26.398 m 348.148 20.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
166.352 16.898 m 172.352 22.898 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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|
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||||
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|
||||
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||||
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||||
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|
||||
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||||
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|
||||
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||||
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||||
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||||
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|
||||
29.551 l 339.25 27.852 l 342.199 26.199 l 345.148 24.602 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 9.333008 61.226562 181.736963 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(+)30(P)21(B)25(E)22(-)13(U)26(E)23(G)]TJ
|
||||
(FCI+PBEot)Tj
|
||||
/f-0-1 1 Tf
|
||||
[<>28<01>]TJ
|
||||
<01>Tj
|
||||
/f-0-0 1 Tf
|
||||
6.671367 0.600016 Td
|
||||
5.422612 0.600016 Td
|
||||
(-)Tj
|
||||
0.262268 -0.600016 Td
|
||||
[(/)12(a)22(v)21(d)23(z)]TJ
|
||||
ET
|
||||
0.580392 0 0.827451 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
50.148 111.699 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
115.852 140.949 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.148 111.148 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 21.602 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
166.352 27.75 6 6 re S Q
|
||||
0.901961 0.623529 0 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 114.852 m 56.102 118.648 l 59.051 122.102 l 62 125.301 l 64.949
|
||||
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|
||||
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|
||||
143.602 l 94.449 144.301 l 97.398 144.852 l 100.352 145.25 l 103.301 145.5
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
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||||
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||||
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|
||||
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|
||||
l 289.102 60 l 292.051 58.102 l 295 56.199 l 297.949 54.352 l 300.898 52.449
|
||||
l 303.852 50.602 l 309.75 46.898 l 312.699 45.102 l 315.648 43.301 l 318.602
|
||||
41.5 l 324.5 37.898 l 327.449 36.148 l 330.398 34.449 l 333.352 32.699
|
||||
l 336.301 31 l 339.25 29.352 l 342.199 27.699 l 345.148 26.051 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 9.333008 74.6875 170.8854 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(+)30(P)21(B)25(E)22(o)22(t)]TJ
|
||||
/f-0-1 1 Tf
|
||||
[<>14<01>]TJ
|
||||
/f-0-0 1 Tf
|
||||
5.229125 0.600016 Td
|
||||
(-)Tj
|
||||
0.262268 -0.600016 Td
|
||||
[(/)12(a)22(v)21(d)23(z)]TJ
|
||||
0.271973 -0.600016 Td
|
||||
(/avdz)Tj
|
||||
ET
|
||||
0.901961 0.623529 0 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
50.148 111.852 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
115.852 141.949 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.148 112.648 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 23.051 6 6 re S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
166.352 38.602 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
50.148 111.449 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
115.852 141.75 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.148 112.301 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 22.199 6 6 re S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
170.148 37.699 6 6 re S Q
|
||||
0 g
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 113.602 m 56.102 117.398 l 59.051 120.898 l 62 124.148 l 64.949
|
||||
127.051 l 67.898 129.699 l 70.852 132.102 l 73.801 134.25 l 76.75 136.148
|
||||
l 79.699 137.852 l 82.648 139.301 l 85.602 140.551 l 88.551 141.602 l 91.5
|
||||
142.5 l 94.449 143.199 l 97.398 143.75 l 100.352 144.148 l 103.301 144.398
|
||||
l 106.25 144.551 l 109.199 144.551 l 112.148 144.5 l 115.102 144.301 l
|
||||
118.051 144.051 l 121 143.699 l 123.949 143.301 l 126.898 142.801 l 129.852
|
||||
142.25 l 132.801 141.648 l 135.75 141 l 141.648 139.5 l 144.602 138.648
|
||||
l 147.551 137.75 l 150.5 136.801 l 153.449 135.801 l 156.398 134.75 l 159.352
|
||||
133.648 l 162.301 132.5 l 165.25 131.301 l 171.148 128.801 l 174.102 127.449
|
||||
l 177.051 126.102 l 180 124.699 l 182.949 123.301 l 185.898 121.852 l 188.852
|
||||
120.352 l 197.699 115.699 l 200.602 114.102 l 203.551 112.5 l 206.5 110.852
|
||||
l 209.449 109.148 l 212.398 107.449 l 215.352 105.75 l 218.301 104.051
|
||||
l 224.199 100.551 l 227.148 98.75 l 230.102 96.949 l 233.051 95.148 l 236
|
||||
93.352 l 241.898 89.648 l 244.852 87.801 l 247.801 85.949 l 250.75 84.102
|
||||
l 253.699 82.199 l 256.648 80.352 l 259.602 78.449 l 262.551 76.551 l 265.5
|
||||
74.648 l 271.398 70.852 l 274.352 68.949 l 277.301 67.051 l 280.25 65.148
|
||||
l 286.148 61.352 l 289.102 59.5 l 292.051 57.602 l 295 55.699 l 297.949
|
||||
53.852 l 300.898 52 l 303.852 50.148 l 306.801 48.301 l 309.75 46.449 l
|
||||
312.699 44.648 l 315.648 42.852 l 318.602 41.051 l 321.551 39.25 l 330.398
|
||||
34 l 333.352 32.301 l 336.301 30.602 l 339.25 28.949 l 342.199 27.301 l
|
||||
345.148 25.648 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 113.25 m 56.102 117.051 l 59.051 120.602 l 62 123.801 l 64.949 126.75
|
||||
l 67.898 129.398 l 70.852 131.801 l 73.801 133.949 l 76.75 135.898 l 79.699
|
||||
137.602 l 82.648 139.051 l 85.602 140.301 l 88.551 141.398 l 91.5 142.25
|
||||
l 94.449 143 l 97.398 143.551 l 100.352 143.949 l 103.301 144.199 l 106.25
|
||||
144.352 l 109.199 144.352 l 112.148 144.25 l 115.102 144.102 l 118.051
|
||||
143.801 l 121 143.449 l 123.949 143.051 l 126.898 142.602 l 129.852 142.051
|
||||
l 132.801 141.449 l 138.699 140.051 l 141.648 139.25 l 144.602 138.398
|
||||
l 147.551 137.5 l 150.5 136.551 l 153.449 135.551 l 156.398 134.449 l 159.352
|
||||
133.352 l 162.301 132.199 l 165.25 131 l 171.148 128.5 l 174.102 127.148
|
||||
l 177.051 125.801 l 180 124.398 l 185.898 121.5 l 188.852 120 l 191.801
|
||||
118.5 l 194.75 116.898 l 197.699 115.352 l 200.602 113.75 l 203.551 112.102
|
||||
l 206.5 110.449 l 212.398 107.051 l 215.352 105.352 l 224.199 100.102 l
|
||||
227.148 98.301 l 230.102 96.5 l 233.051 94.699 l 236 92.852 l 238.949 91.051
|
||||
l 241.898 89.199 l 244.852 87.301 l 247.801 85.449 l 250.75 83.551 l 253.699
|
||||
81.699 l 256.648 79.801 l 259.602 77.898 l 265.5 74.102 l 268.449 72.199
|
||||
l 271.398 70.25 l 274.352 68.352 l 277.301 66.449 l 280.25 64.551 l 283.199
|
||||
62.648 l 286.148 60.75 l 289.102 58.852 l 292.051 56.949 l 295 55.051 l
|
||||
297.949 53.148 l 300.898 51.301 l 303.852 49.449 l 306.801 47.602 l 312.699
|
||||
43.898 l 315.648 42.102 l 318.602 40.301 l 321.551 38.5 l 324.5 36.75 l
|
||||
327.449 34.949 l 330.398 33.25 l 333.352 31.5 l 336.301 29.801 l 339.25
|
||||
28.148 l 342.199 26.449 l 345.148 24.852 l S Q
|
||||
BT
|
||||
9.333008 0 0 9.333008 67.339844 160.036133 Tm
|
||||
9.333008 0 0 -9.333008 67.470557 55.063086 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(F)21(C)24(I)11(+)30(P)21(B)25(E)22(o)22(t)14(0)]TJ
|
||||
(FCI+PBEot0)Tj
|
||||
/f-0-1 1 Tf
|
||||
[<>23<01>]TJ
|
||||
<01>Tj
|
||||
/f-0-0 1 Tf
|
||||
[()19(/)12(a)22(v)21(d)23(z)]TJ
|
||||
(/avdz)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
50.148 115.602 m 53.148 110.602 l 56.148 115.602 l h
|
||||
50.148 115.602 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
115.852 145.949 m 118.852 140.949 l 121.852 145.949 l h
|
||||
115.852 145.949 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
196.148 116.898 m 199.148 111.898 l 202.148 116.898 l h
|
||||
196.148 116.898 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
342.148 27.648 m 345.148 22.648 l 348.148 27.648 l h
|
||||
342.148 27.648 m S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
166.352 54.449 m 169.352 49.449 l 172.352 54.449 l h
|
||||
166.352 54.449 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
50.148 115.25 m 53.148 110.25 l 56.148 115.25 l h
|
||||
50.148 115.25 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
115.852 145.699 m 118.852 140.699 l 121.852 145.699 l h
|
||||
115.852 145.699 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
196.148 116.551 m 199.148 111.551 l 202.148 116.551 l h
|
||||
196.148 116.551 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
342.148 26.852 m 345.148 21.852 l 348.148 26.852 l h
|
||||
342.148 26.852 m S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
170.148 53.551 m 173.148 48.551 l 176.148 53.551 l h
|
||||
170.148 53.551 m S Q
|
||||
0.898039 0.117647 0.0627451 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
53.148 144.898 m 56.102 149.898 l 59.051 154.398 l 62 158.352 l 64.949
|
||||
161.852 l 67.898 164.898 l 70.852 167.5 l 73.801 169.648 l 76.75 171.5 l
|
||||
79.699 172.898 l 82.648 174.051 l 85.602 174.852 l 88.551 175.352 l 91.5
|
||||
175.602 l 94.449 175.648 l 97.398 175.449 l 100.352 175.051 l 103.301 174.5
|
||||
l 106.25 173.852 l 109.199 173.051 l 112.148 172.148 l 115.102 171.199
|
||||
l 123.949 168.199 l 126.898 167.148 l 129.852 166.102 l 135.75 164 l 138.699
|
||||
162.898 l 141.648 161.852 l 144.602 160.75 l 147.551 159.602 l 150.5 158.5
|
||||
l 153.449 157.352 l 156.398 156.148 l 159.352 155 l 162.301 153.801 l 165.25
|
||||
152.551 l 168.199 151.352 l 171.148 150.102 l 174.102 148.801 l 180 146.199
|
||||
l 182.949 144.852 l 185.898 143.5 l 188.852 142.102 l 191.801 140.699 l
|
||||
197.699 137.801 l 200.602 136.352 l 203.551 134.852 l 209.449 131.75 l
|
||||
212.398 130.148 l 215.352 128.551 l 218.301 126.949 l 221.25 125.301 l 224.199
|
||||
123.648 l 227.148 122 l 230.102 120.301 l 233.051 118.602 l 241.898 113.352
|
||||
l 244.852 111.602 l 247.801 109.801 l 250.75 108.051 l 253.699 106.25 l
|
||||
256.648 104.398 l 259.602 102.602 l 262.551 100.801 l 265.5 98.949 l 268.449
|
||||
97.102 l 271.398 95.301 l 274.352 93.449 l 277.301 91.602 l 283.199 87.898
|
||||
l 286.148 86.051 l 289.102 84.199 l 292.051 82.352 l 297.949 78.648 l 300.898
|
||||
76.801 l 303.852 74.949 l 306.801 73.102 l 315.648 67.699 l 318.602 65.898
|
||||
l 321.551 64.102 l 324.5 62.301 l 330.398 58.801 l 333.352 57.051 l 336.301
|
||||
55.352 l 339.25 53.602 l 342.199 51.949 l 345.148 50.25 l S Q
|
||||
q 1 0 0 1 0 0 cm
|
||||
53.148 144.699 m 56.102 149.699 l 59.051 154.199 l 62 158.199 l 64.949
|
||||
161.699 l 67.898 164.75 l 70.852 167.398 l 73.801 169.602 l 76.75 171.398
|
||||
l 79.699 172.852 l 82.648 173.949 l 85.602 174.801 l 88.551 175.301 l 91.5
|
||||
175.551 l 94.449 175.602 l 97.398 175.398 l 100.352 175 l 103.301 174.449
|
||||
l 106.25 173.75 l 109.199 172.949 l 112.148 172.102 l 115.102 171.102 l
|
||||
123.949 168.102 l 126.898 167.051 l 129.852 166 l 135.75 163.898 l 138.699
|
||||
162.801 l 141.648 161.699 l 144.602 160.602 l 147.551 159.449 l 150.5 158.352
|
||||
l 153.449 157.199 l 156.398 156 l 159.352 154.801 l 162.301 153.602 l 165.25
|
||||
152.398 l 171.148 149.898 l 174.102 148.602 l 180 146 l 182.949 144.648
|
||||
l 185.898 143.25 l 188.852 141.898 l 191.801 140.449 l 194.75 139.051 l
|
||||
197.699 137.551 l 200.602 136.102 l 203.551 134.551 l 206.5 133.051 l 209.449
|
||||
131.449 l 212.398 129.898 l 215.352 128.25 l 218.301 126.648 l 224.199
|
||||
123.352 l 227.148 121.648 l 230.102 119.949 l 233.051 118.25 l 241.898 113
|
||||
l 244.852 111.199 l 247.801 109.449 l 250.75 107.648 l 253.699 105.801
|
||||
l 256.648 104 l 259.602 102.199 l 262.551 100.352 l 268.449 96.648 l 271.398
|
||||
94.801 l 274.352 92.949 l 277.301 91.102 l 280.25 89.25 l 283.199 87.352
|
||||
l 286.148 85.5 l 289.102 83.648 l 292.051 81.801 l 295 79.949 l 297.949
|
||||
78.102 l 300.898 76.25 l 303.852 74.398 l 306.801 72.551 l 309.75 70.699
|
||||
l 312.699 68.898 l 315.648 67.051 l 318.602 65.25 l 321.551 63.449 l 324.5
|
||||
61.699 l 327.449 59.898 l 330.398 58.148 l 333.352 56.398 l 336.301 54.648
|
||||
l 345.148 49.551 l S Q
|
||||
0 g
|
||||
BT
|
||||
9.333008 0 0 9.333008 125.21875 149.211914 Tm
|
||||
9.333008 0 0 -9.333008 127.519922 65.913086 Tm
|
||||
/f-0-0 1 Tf
|
||||
[(E)23(x)21(a)22(c)19(t)]TJ
|
||||
(Exact)Tj
|
||||
ET
|
||||
0.898039 0.117647 0.0627451 rg
|
||||
56.148 71.102 m 56.148 67.102 50.148 67.102 50.148 71.102 c 50.148 75.102
|
||||
56.148 75.102 56.148 71.102 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
56.148 144.898 m 56.148 148.898 50.148 148.898 50.148 144.898 c 50.148
|
||||
140.898 56.148 140.898 56.148 144.898 c S Q
|
||||
121.852 46.051 m 121.852 42.051 115.852 42.051 115.852 46.051 c 115.852
|
||||
50.051 121.852 50.051 121.852 46.051 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
121.852 169.949 m 121.852 173.949 115.852 173.949 115.852 169.949 c 115.852
|
||||
165.949 121.852 165.949 121.852 169.949 c S Q
|
||||
202.148 78.898 m 202.148 74.898 196.148 74.898 196.148 78.898 c 196.148
|
||||
82.898 202.148 82.898 202.148 78.898 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
202.148 137.102 m 202.148 141.102 196.148 141.102 196.148 137.102 c 196.148
|
||||
133.102 202.148 133.102 202.148 137.102 c S Q
|
||||
348.148 165.75 m 348.148 161.75 342.148 161.75 342.148 165.75 c 342.148
|
||||
169.75 348.148 169.75 348.148 165.75 c f
|
||||
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q 1 0 0 -1 0 216 cm
|
||||
38.75 10.75 m 42.449 10.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 10.75 m 341.449 10.75 l S Q
|
||||
BT
|
||||
8 0 0 8 13.269531 202.25 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 0.03)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
38.75 197.898 m 38.75 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
38.75 10.75 m 38.75 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 34.910156 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
69.398 197.898 m 69.398 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
69.398 10.75 m 69.398 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 61.742188 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 2.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
100.051 197.898 m 100.051 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
100.051 10.75 m 100.051 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 96.207031 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
130.648 197.898 m 130.648 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
130.648 10.75 m 130.648 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 122.992188 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 3.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
161.301 197.898 m 161.301 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
161.301 10.75 m 161.301 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 157.457031 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 4)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
191.949 197.898 m 191.949 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
191.949 10.75 m 191.949 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 184.292969 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 4.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
222.602 197.898 m 222.602 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
222.602 10.75 m 222.602 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 218.757812 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
253.25 197.898 m 253.25 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
253.25 10.75 m 253.25 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 245.59375 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 5.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
283.852 197.898 m 283.852 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
283.852 10.75 m 283.852 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 280.007812 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 6)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
314.5 197.898 m 314.5 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
314.5 10.75 m 314.5 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 306.84375 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 6.5)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 197.898 m 345.148 194.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 10.75 m 345.148 14.449 l S Q
|
||||
BT
|
||||
8 0 0 8 341.308594 5.800781 Tm
|
||||
/f-0-0 1 Tf
|
||||
( 7)Tj
|
||||
ET
|
||||
q 1 0 0 -1 0 216 cm
|
||||
38.75 10.75 306.398 187.148 re S Q
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
57.148 21.199 m 60.051 37.949 l 62.949 53.949 l 65.852 68.449 l 68.75 80.699
|
||||
l 71.699 90.102 l 74.602 96.699 l 77.5 101.148 l 80.398 103.949 l 83.301
|
||||
105.602 l 86.25 106.602 l 89.148 107 l 92.051 106.949 l 94.949 106.5 l
|
||||
97.852 105.648 l 100.75 104.551 l 103.699 103.199 l 106.602 101.648 l 109.5
|
||||
99.949 l 112.398 98.102 l 115.301 96.148 l 118.25 94.148 l 121.148 92.148
|
||||
l 124.051 90.199 l 126.949 88.25 l 129.852 86.398 l 132.75 84.648 l 135.699
|
||||
83.051 l 138.602 81.602 l 141.5 80.25 l 144.398 79 l 147.301 77.852 l 150.25
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||||
l 164.801 72.648 l 167.699 72 l 170.602 71.398 l 173.5 70.852 l 176.398
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||||
70.301 l 179.301 69.852 l 182.25 69.449 l 185.148 69.051 l 188.051 68.699
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||||
l 190.949 68.398 l 193.852 68.148 l 196.801 67.898 l 199.699 67.648 l 202.602
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||||
67.449 l 205.5 67.301 l 208.398 67.148 l 211.301 67 l 214.25 66.898 l 217.148
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||||
66.801 l 220.051 66.699 l 222.949 66.602 l 225.852 66.5 l 228.801 66.449
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||||
l 231.699 66.352 l 234.602 66.301 l 240.398 66.199 l 243.352 66.148 l 246.25
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66.102 l 249.148 66.102 l 252.051 66.051 l 254.949 66.051 l 257.852 66
|
||||
l 263.699 66 l 266.602 65.949 l 278.25 65.949 l 281.148 66 l 289.852 66
|
||||
l 292.801 66.051 l 295.699 66.051 l 298.602 66.102 l 301.5 66.102 l 304.398
|
||||
66.148 l 307.352 66.148 l 310.25 66.199 l 313.148 66.199 l 316.051 66.25
|
||||
l 318.949 66.301 l 321.898 66.301 l 324.801 66.352 l 327.699 66.352 l 330.602
|
||||
66.398 l 333.5 66.449 l 336.398 66.449 l 339.352 66.5 l 342.25 66.551 l
|
||||
345.148 66.551 l S Q
|
||||
0 g
|
||||
BT
|
||||
8 0 0 8 271.570312 193.898438 Tm
|
||||
/f-0-0 1 Tf
|
||||
(FCI/avdz)Tj
|
||||
ET
|
||||
0 0.619608 0.45098 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
55.648 19.699 m 58.648 22.699 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
55.648 22.699 m 58.648 19.699 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
67.898 81.449 m 70.898 84.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
67.898 84.449 m 70.898 81.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
81.699 104.051 m 84.699 107.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
81.699 107.051 m 84.699 104.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
98.551 103.352 m 101.551 106.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
98.551 106.352 m 101.551 103.352 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
129.148 84.398 m 132.148 87.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
129.148 87.398 m 132.148 84.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
159.801 72 m 162.801 75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
159.801 75 m 162.801 72 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
221.102 65.102 m 224.102 68.102 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
221.102 68.102 m 224.102 65.102 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
343.648 65.051 m 346.648 68.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
343.648 68.051 m 346.648 65.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
321.398 17.602 m 324.398 20.602 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
321.398 20.602 m 324.398 17.602 l S Q
|
||||
0.337255 0.705882 0.913725 rg
|
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q 1 0 0 -1 0 216 cm
|
||||
57.148 57.75 m 60.051 71.898 l 62.949 85.301 l 65.852 97.301 l 68.75 107.148
|
||||
l 71.699 114.301 l 74.602 118.852 l 77.5 121.352 l 80.398 122.301 l 83.301
|
||||
122.25 l 86.25 121.602 l 89.148 120.551 l 92.051 119.102 l 94.949 117.352
|
||||
l 97.852 115.352 l 100.75 113.148 l 103.699 110.801 l 106.602 108.301 l
|
||||
109.5 105.75 l 112.398 103.148 l 115.301 100.551 l 118.25 97.949 l 121.148
|
||||
95.398 l 124.051 92.898 l 126.949 90.551 l 129.852 88.301 l 132.75 86.25
|
||||
l 135.699 84.352 l 138.602 82.602 l 141.5 81.051 l 144.398 79.602 l 147.301
|
||||
78.301 l 150.25 77.102 l 153.148 76 l 156.051 75 l 158.949 74.102 l 161.852
|
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73.25 l 164.801 72.5 l 167.699 71.801 l 170.602 71.148 l 173.5 70.551 l
|
||||
176.398 70.051 l 179.301 69.551 l 182.25 69.102 l 185.148 68.75 l 188.051
|
||||
68.398 l 190.949 68.051 l 193.852 67.801 l 196.801 67.551 l 199.699 67.352
|
||||
l 202.602 67.148 l 205.5 67 l 208.398 66.898 l 211.301 66.75 l 214.25 66.648
|
||||
l 217.148 66.602 l 220.051 66.5 l 222.949 66.449 l 225.852 66.398 l 228.801
|
||||
66.352 l 231.699 66.301 l 234.602 66.25 l 240.398 66.148 l 243.352 66.148
|
||||
l 246.25 66.102 l 249.148 66.102 l 252.051 66.051 l 257.852 66.051 l 260.801
|
||||
66 l 278.25 66 l 281.148 66.051 l 286.949 66.051 l 289.852 66.102 l 295.699
|
||||
66.102 l 298.602 66.148 l 301.5 66.148 l 304.398 66.199 l 307.352 66.199
|
||||
l 310.25 66.25 l 313.148 66.25 l 316.051 66.301 l 318.949 66.301 l 321.898
|
||||
66.352 l 324.801 66.352 l 327.699 66.398 l 330.602 66.449 l 333.5 66.449
|
||||
l 336.398 66.5 l 339.352 66.5 l 342.25 66.551 l 345.148 66.551 l S Q
|
||||
0 g
|
||||
BT
|
||||
8 0 0 8 249.5 184.597656 Tm
|
||||
/f-0-0 1 Tf
|
||||
(FCI+PBE/avdz)Tj
|
||||
ET
|
||||
0.337255 0.705882 0.913725 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
55.648 57.75 m 58.648 57.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
57.148 56.25 m 57.148 59.25 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
55.648 56.25 m 58.648 59.25 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
55.648 59.25 m 58.648 56.25 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
67.898 108.949 m 70.898 108.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
69.398 107.449 m 69.398 110.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
67.898 107.449 m 70.898 110.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
67.898 110.449 m 70.898 107.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
81.699 122.25 m 84.699 122.25 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
83.199 120.75 m 83.199 123.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
81.699 120.75 m 84.699 123.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
81.699 123.75 m 84.699 120.75 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
98.551 113.699 m 101.551 113.699 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
100.051 112.199 m 100.051 115.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
98.551 112.199 m 101.551 115.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
98.551 115.199 m 101.551 112.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
129.148 87.699 m 132.148 87.699 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
130.648 86.199 m 130.648 89.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
129.148 86.199 m 132.148 89.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
129.148 89.199 m 132.148 86.199 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
159.801 73.449 m 162.801 73.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
161.301 71.949 m 161.301 74.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
159.801 71.949 m 162.801 74.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
159.801 74.949 m 162.801 71.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
221.102 66.449 m 224.102 66.449 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
222.602 64.949 m 222.602 67.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
221.102 64.949 m 224.102 67.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
221.102 67.949 m 224.102 64.949 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
343.648 66.551 m 346.648 66.551 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
345.148 65.051 m 345.148 68.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
343.648 65.051 m 346.648 68.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
343.648 68.051 m 346.648 65.051 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
321.398 28.398 m 324.398 28.398 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
322.898 26.898 m 322.898 29.898 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
321.398 26.898 m 324.398 29.898 l S Q
|
||||
q 1 0 0 -1 0 216 cm
|
||||
321.398 29.898 m 324.398 26.898 l S Q
|
||||
0.898039 0.117647 0.0627451 rg
|
||||
q 1 0 0 -1 0 216 cm
|
||||
57.148 83.75 m 60.051 107.75 l 62.949 130.352 l 65.852 150.199 l 68.75
|
||||
165.852 l 71.699 176.148 l 74.602 181.551 l 77.5 183.199 l 80.398 182.449
|
||||
l 83.301 180.398 l 86.25 178.051 l 89.148 175.602 l 92.051 173 l 94.949
|
||||
170.199 l 97.852 167.199 l 100.75 163.898 l 103.699 160.398 l 106.602 156.648
|
||||
l 109.5 152.75 l 112.398 148.699 l 115.301 144.602 l 118.25 140.449 l 121.148
|
||||
136.301 l 124.051 132.148 l 126.949 128.148 l 129.852 124.25 l 132.75 120.551
|
||||
l 135.699 117.051 l 138.602 113.699 l 141.5 110.551 l 144.398 107.551 l
|
||||
147.301 104.75 l 150.25 102.051 l 153.148 99.551 l 156.051 97.199 l 158.949
|
||||
95 l 161.852 92.898 l 164.801 90.949 l 167.699 89.102 l 170.602 87.398
|
||||
l 173.5 85.852 l 176.398 84.352 l 179.301 83 l 182.25 81.699 l 185.148 80.551
|
||||
l 188.051 79.449 l 190.949 78.449 l 193.852 77.551 l 196.801 76.699 l 199.699
|
||||
75.898 l 202.602 75.199 l 205.5 74.551 l 208.398 73.949 l 211.301 73.352
|
||||
l 214.25 72.852 l 217.148 72.398 l 220.051 71.949 l 222.949 71.5 l 225.852
|
||||
71.148 l 228.801 70.75 l 231.699 70.398 l 234.602 70.051 l 240.398 69.449
|
||||
l 243.352 69.199 l 249.148 68.699 l 252.051 68.5 l 254.949 68.301 l 257.852
|
||||
68.102 l 260.801 67.898 l 263.699 67.75 l 266.602 67.602 l 269.5 67.5 l
|
||||
272.398 67.352 l 275.352 67.25 l 278.25 67.148 l 281.148 67.102 l 284.051
|
||||
67 l 286.949 66.949 l 289.852 66.898 l 292.801 66.852 l 295.699 66.852
|
||||
l 298.602 66.801 l 316.051 66.801 l 318.949 66.852 l 321.898 66.852 l 324.801
|
||||
66.898 l 327.699 66.898 l 330.602 66.949 l 333.5 66.949 l 336.398 67 l
|
||||
339.352 67 l 345.148 67.102 l S Q
|
||||
0 g
|
||||
BT
|
||||
8 0 0 8 283.5 175.300781 Tm
|
||||
/f-0-0 1 Tf
|
||||
(Exact)Tj
|
||||
ET
|
||||
0.898039 0.117647 0.0627451 rg
|
||||
58.648 132.25 m 58.648 130.25 55.648 130.25 55.648 132.25 c 55.648 134.25
|
||||
58.648 134.25 58.648 132.25 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
58.648 83.75 m 58.648 85.75 55.648 85.75 55.648 83.75 c 55.648 81.75 58.648
|
||||
81.75 58.648 83.75 c S Q
|
||||
70.898 47.5 m 70.898 45.5 67.898 45.5 67.898 47.5 c 67.898 49.5 70.898
|
||||
49.5 70.898 47.5 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
70.898 168.5 m 70.898 170.5 67.898 170.5 67.898 168.5 c 67.898 166.5 70.898
|
||||
166.5 70.898 168.5 c S Q
|
||||
84.699 35.5 m 84.699 33.5 81.699 33.5 81.699 35.5 c 81.699 37.5 84.699
|
||||
37.5 84.699 35.5 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
84.699 180.5 m 84.699 182.5 81.699 182.5 81.699 180.5 c 81.699 178.5 84.699
|
||||
178.5 84.699 180.5 c S Q
|
||||
101.551 51.25 m 101.551 49.25 98.551 49.25 98.551 51.25 c 98.551 53.25
|
||||
101.551 53.25 101.551 51.25 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
101.551 164.75 m 101.551 166.75 98.551 166.75 98.551 164.75 c 98.551 162.75
|
||||
101.551 162.75 101.551 164.75 c S Q
|
||||
132.148 92.75 m 132.148 90.75 129.148 90.75 129.148 92.75 c 129.148 94.75
|
||||
132.148 94.75 132.148 92.75 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
132.148 123.25 m 132.148 125.25 129.148 125.25 129.148 123.25 c 129.148
|
||||
121.25 132.148 121.25 132.148 123.25 c S Q
|
||||
162.801 122.699 m 162.801 120.699 159.801 120.699 159.801 122.699 c 159.801
|
||||
124.699 162.801 124.699 162.801 122.699 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
162.801 93.301 m 162.801 95.301 159.801 95.301 159.801 93.301 c 159.801
|
||||
91.301 162.801 91.301 162.801 93.301 c S Q
|
||||
224.102 144.449 m 224.102 142.449 221.102 142.449 221.102 144.449 c 221.102
|
||||
146.449 224.102 146.449 224.102 144.449 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
224.102 71.551 m 224.102 73.551 221.102 73.551 221.102 71.551 c 221.102
|
||||
69.551 224.102 69.551 224.102 71.551 c S Q
|
||||
346.648 148.898 m 346.648 146.898 343.648 146.898 343.648 148.898 c 343.648
|
||||
150.898 346.648 150.898 346.648 148.898 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
346.648 67.102 m 346.648 69.102 343.648 69.102 343.648 67.102 c 343.648
|
||||
65.102 346.648 65.102 346.648 67.102 c S Q
|
||||
324.398 178.301 m 324.398 176.301 321.398 176.301 321.398 178.301 c 321.398
|
||||
180.301 324.398 180.301 324.398 178.301 c f
|
||||
q 1 0 0 -1 0 216 cm
|
||||
324.398 37.699 m 324.398 39.699 321.398 39.699 321.398 37.699 c 321.398
|
||||
35.699 324.398 35.699 324.398 37.699 c S Q
|
||||
0 g
|
||||
q 1 0 0 -1 0 216 cm
|
||||
38.75 10.75 306.398 187.148 re S Q
|
||||
Q Q
|
||||
showpage
|
||||
%%Trailer
|
||||
end restore
|
||||
%%EOF
|
||||
@ -42,7 +42,7 @@ plot '${FILE}' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 p
|
||||
replot '${FILE}' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "${WF}+PBE-UEG~{/Symbol z}{.8-}/$BASIS"
|
||||
replot '${FILE}' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "${WF}+PBEot~{/Symbol z}{.8-}/$BASIS"
|
||||
replot '${FILE}' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "${WF}+PBEot0{/Symbol z}/$BASIS"
|
||||
replot '${FILE}' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact"
|
||||
replot '${FILE}' using 1:6 smooth acsplines notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact"
|
||||
set terminal eps enhanced linewidth 6
|
||||
set output "${OUT}.eps"
|
||||
replot
|
||||
@ -51,6 +51,7 @@ EOF
|
||||
|
||||
fi
|
||||
|
||||
exit
|
||||
gnuplot pouet.gp
|
||||
|
||||
TYPE=error
|
||||
|
||||
@ -1,9 +1,17 @@
|
||||
set xrange [:7]
|
||||
plot 'data_DFT_avdzE_error' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "FCI/avdz"
|
||||
replot 'data_DFT_avdzE_error' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "FCI+PBEot{/Symbol z}/avdz"
|
||||
replot 'data_DFT_avdzE_error' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "FCI+PBEot/avdz"
|
||||
replot 'data_DFT_avdzE_error' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "FCI+PBE/avdz"
|
||||
set xrange [2.5:3.5]
|
||||
set key left
|
||||
|
||||
set xlabel "Inter atomic distance (a.u.) "
|
||||
set ylabel "Energy (Hartree)"
|
||||
set key font ",15"
|
||||
set key spacing "1,8"
|
||||
|
||||
plot 'data_DFT_avdzE_relat' using 1:2 smooth cspline notitle lt 2 , "" using 1:2 w p lt 2 ps 1 title "FCI/avdz"
|
||||
replot 'data_DFT_avdzE_relat' using 1:3 smooth cspline notitle lt 9 , "" using 1:3 w p lt 9 ps 1 title "FCI+PBE-UEG~{/Symbol z}{.8-}/avdz"
|
||||
replot 'data_DFT_avdzE_relat' using 1:4 smooth cspline notitle lt 4 , "" using 1:4 w p lt 4 ps 1 title "FCI+PBEot~{/Symbol z}{.8-}/avdz"
|
||||
replot 'data_DFT_avdzE_relat' using 1:5 smooth cspline notitle lt 8 , "" using 1:5 w p lt 8 ps 1 title "FCI+PBEot0{/Symbol z}/avdz"
|
||||
replot 'data_DFT_avdzE_relat' using 1:6 smooth cspline notitle lt 7 , "" using 1:6 w p lt 7 ps 1 title "Exact"
|
||||
set terminal eps enhanced linewidth 6
|
||||
set output "DFT_avdzE_error.eps"
|
||||
set output "DFT_avdzE_relat_zoom.eps"
|
||||
replot
|
||||
|
||||
|
||||
Loading…
Reference in New Issue
Block a user