<div dir="ltr">
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">Hi Vladimir,</span></p>
<p class="MsoNormal"><span lang="EN-US">Thanks for your feedback. But there are
still something confusing me. The input which I used was simply modified form “tests/QS/regtest-embed/H2O_H2_pbe_mp2.inpâ€
in the CP2K test dir. Correct me if I understand the input keyword wrong.</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">In the input system, there are a water
molecular and a hydrogen molecular.</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(1)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question one</span></p>
<p class="MsoNormal"><span lang="EN-US">The MULTIPLE_FORCE_EVALS section, I set</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>FORCE_EVAL_ORDER 2 3 4 5</span></p>
<p class="MsoNormal"><span lang="EN-US">So, there should be 5 FORCE_EVAL sections
in my input file. Am I correct?</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(2)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question two</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!FORCE_EVA section 1 </span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!mapping the fragments </span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">The first FORCE_EVA section should be descripting
how the other 4 FORCE_EVAL embed and how to mapping the fragments. The Am I correct?</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(3)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question three</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!FORCE_EVA section 2 </span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!Subsys 1 the H2O
molecular</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">The second FORCE_EVA section should be descripting
how to calculate the H2O molecular energy with DFTB. </span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(4)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question 4</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!FORCE_EVA section 3 </span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!Subsys 2 the H2
molecular</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&DFT</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span>CLUSTER_EMBED_SUBSYS .TRUE.</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&END QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&END DFT</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span></span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">The third FORCE_EVA section should be descripting
how to calculate the H2 molecular energy with DFTB. This is the embedded
cluster and the <span style="color:red">CLUSTER_EMBED_SUBSYS .TRUE. </span>is
set.</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(5)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question five</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!FORCE_EVA section 4</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!<a name="_Hlk8834912">Total
system including H2O and H2</a></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&DFT</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span>REF_EMBED_SUBSYS .TRUE.</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span>&OPT_EMBED</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>REG_LAMBDA 0.00001</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>N_ITER 3</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>DENS_CONV_INT 0.5</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>DENS_CONV_MAX 0.025</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>OPTIMIZER QUASI_NEWTON</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>GRID_OPT .FALSE.</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span>&END OPT_EMBED</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&END QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&END DFT</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">The fourth FORCE_EVA section descripting how
to calculate the total system, including H2O and H2 molecular, energy with
DFTB. Because this is the total system, the <span style="color:red">REF_EMBED_SUBSYS
.TRUE.</span> is set.<span style="color:red"></span></span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><span style="mso-fareast-font-family:ç‰çº¿;mso-fareast-theme-font:minor-latin;
mso-bidi-font-family:ç‰çº¿;mso-bidi-theme-font:minor-latin" lang="EN-US"><span style="mso-list:Ignore">(6)<span style="font:7.0pt "Times New Roman""> Â
</span></span></span><span lang="EN-US">Question six</span></p>
<p class="MsoNormal"><span lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span lang="EN-US">!FORCE_EVA section 5 </span></p>
<p class="MsoNormal"><span lang="EN-US">!</span></p>
<p class="MsoNormal"><span lang="EN-US">!Higher level calculation on subsys 2, the
H2O </span></p>
<p class="MsoNormal"><span lang="EN-US">!*******************************</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&DFT</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â </span>HIGH_LEVEL_EMBED_SUBSYS .TRUE.</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&END QS</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â </span>&END DFT</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">The fifth FORCE_EVA section descripting how
to calculate the higher level system, in this case H2, energy with PBE. The <span style="color:red">HIGH_LEVEL_EMBED_SUBSYS .TRUE. </span>should be set in this
section.<span style="color:red"></span></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">To avoid the grid influence I set the same
grids for all the subsystem as follow,</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&MGRID</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â </span>NGRIDS 5</span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â </span>CUTOFF 600<span style="mso-spacerun:yes">Â Â Â Â </span></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â </span>REL_CUTOFF 60<span style="mso-spacerun:yes">Â Â </span></span></p>
<p class="MsoNormal"><span style="color:red" lang="EN-US"><span style="mso-spacerun:yes">Â Â Â Â Â Â Â </span>&END MGRID</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">But I still got the same error,</span></p>
<p class="MsoNormal"><span lang="EN-US">*******************************************************************************</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*<span style="mso-spacerun:yes">Â Â
</span>___<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*<span style="mso-spacerun:yes">Â
</span>/<span style="mso-spacerun:yes">Â Â </span>\<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*
[ABORT]<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*<span style="mso-spacerun:yes">Â
</span>\___/<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>The pointer
gto_basis_set is not associated<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â
</span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*<span style="mso-spacerun:yes">Â Â Â
</span>|<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span><span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â </span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*<span style="mso-spacerun:yes">Â
</span>O/|<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>* /|
|<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span>*</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>* /
\<span style="mso-spacerun:yes">Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â
</span>aobasis/basis_set_types.F:791 *</span></p>
<p class="MsoNormal"><span lang="EN-US"><span style="mso-spacerun:yes">Â </span>*******************************************************************************</span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">What should I do next? I post my input file in the end of this,<br></span></p>
<p class="MsoNormal"><span lang="EN-US">Â </span></p>
<p class="MsoNormal"><span lang="EN-US">Regards,</span></p>
<p class="MsoNormal"><span lang="EN-US">Linfeng</span></p><p class="MsoNormal"><span lang="EN-US"><br></span></p><p class="MsoNormal"><span lang="EN-US">&GLOBALÂ Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â PROJECTÂ h2o_h2_dftb_pbe_DFET<br>Â Â Â PRINT_LEVEL HIGH<br>Â Â Â RUN_TYPE ENERGY<br>&END GLOBAL<br><br>&MULTIPLE_FORCE_EVALS<br>Â Â Â FORCE_EVAL_ORDER 2 3 4 5<br>Â Â Â MULTIPLE_SUBSYS T<br>&END MULTIPLE_FORCE_EVALS<br><br><br>!*******************************<br>!FORCE_EVA section 1 <br>!<br>!mapping the fragments <br>!*******************************<br>&FORCE_EVAL<br><br>Â Â Â METHOD EMBED<br>Â Â Â <br>Â Â Â !Select DFET or DMFET. Default value: DFET<br>Â Â Â &EMBED DFET<br>Â Â Â Â Â Â NGROUPS 1<br>Â Â Â Â Â Â &MAPPING<br>Â Â Â Â Â Â Â Â Â &FORCE_EVAL_EMBED<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 1<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 3Â <br>Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 2<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 4 5Â <br>Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 3<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 5Â <br>Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &FORCE_EVAL 1<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 1<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 3<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MAP 1 <br>Â Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &FORCE_EVAL 2<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 1<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 2<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MAP 2 <br>Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &FORCE_EVAL 3<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 1<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 5<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MAP 3 <br>Â Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &FORCE_EVAL 4<br>Â Â Â Â Â Â Â Â Â Â Â Â &FRAGMENT 1<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â 1 2<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MAP 2 <br>Â Â Â Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â Â Â Â &END<br>Â Â Â Â Â Â &END<br>Â Â Â &END EMBED<br>Â Â Â <br>Â Â Â &SUBSYS<br>Â Â Â Â Â &CELL<br>Â Â Â Â Â Â Â ABC [angstrom]Â 5.000Â Â 5.000Â 5.000<br>Â Â Â Â Â &END CELL<br>Â Â Â Â Â <br>Â Â Â Â Â &COORD<br>Â Â Â Â Â Â Â Â Â OÂ Â Â Â Â 1.75Â 1.5Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.0Â Â 1.0Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 2.5Â Â 1.0Â 0.0Â Â Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 2.75Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 3.50 0.0Â Â Â <br>Â Â Â Â Â &END<br>Â Â Â Â Â <br>Â Â Â &END SUBSYS<br>Â Â Â <br>&END FORCE_EVAL<br><br><br><br>!*******************************<br>!FORCE_EVA section 2 <br>!<br>!Subsys 1 the H2O molecular<br>!*******************************<br>&FORCE_EVAL<br><br>Â Â Â METHOD Quickstep<br>Â Â Â <br>Â Â Â &SUBSYS<br>Â Â Â Â Â Â Â &CELL<br>Â Â Â Â Â Â Â Â Â Â Â ABC [angstrom]Â Â Â 5.000Â Â 5.000Â 5.000<br>Â Â Â Â Â Â Â &END CELL<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &COORD<br>Â Â Â Â Â Â Â Â Â Â Â OÂ Â Â Â Â 1.75Â 1.5Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.0Â Â 1.0Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 2.5Â Â 1.0Â 0.0 <br>Â Â Â Â Â Â Â &END COORD<br>Â Â Â Â Â Â Â <br>Â Â Â &END SUBSYS<br><br>Â Â Â &DFT<br>Â Â Â Â Â Â Â &QS<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â METHOD DFTB<br>Â Â Â Â Â Â Â Â Â &DFTB<br>Â Â Â Â Â Â Â Â Â Â Â SELF_CONSISTENTÂ Â Â T<br>Â Â Â Â Â Â Â Â Â Â Â &PARAMETER<br>Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_PATHÂ DFTB/scc<br>Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_NAMEÂ scc_parameter<br>Â Â Â Â Â Â Â Â Â Â Â Â Â UFF_FORCE_FIELDÂ ../uff_table<br>Â Â Â Â Â Â Â Â Â Â Â &END PARAMETER<br>Â Â Â Â Â Â Â Â Â &END DFTB<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &END QS<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &POISSON<br>Â Â Â Â Â Â Â Â Â Â Â &EWALD<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â EWALD_TYPE SPME<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â GMAX 25<br>Â Â Â Â Â Â Â Â Â Â Â &END EWALD<br>Â Â Â Â Â Â Â Â Â Â Â POISSON_SOLVER ANALYTIC<br>Â Â Â Â Â Â Â &END POISSON<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &MGRID<br>Â Â Â Â Â Â Â Â Â NGRIDS 5<br>Â Â Â Â Â Â Â Â Â CUTOFF 600Â Â Â Â <br>Â Â Â Â Â Â Â Â Â REL_CUTOFF 60Â Â <br>Â Â Â Â Â Â Â &END MGRID<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &SCF<br>Â Â Â Â Â Â Â Â Â Â Â MAX_SCF 100Â Â Â Â Â Â Â Â Â Â !Maximum number of SCF iteration<br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â &OT<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PRECONDITIONER FULL_SINGLE_INVERSE<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MINIMIZER DIIS<br>Â Â Â Â Â Â Â Â Â Â Â &END OT<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &END SCF<br>Â Â Â Â Â <br>Â Â Â &END DFT<br>Â Â Â <br>Â Â Â STRESS_TENSOR ANALYTICAL<br>Â <br>&END FORCE_EVAL<br><br><br><br><br>!*******************************<br>!FORCE_EVA section 3 <br>!<br>!Subsys 2 the H2 molecular<br>!*******************************<br>&FORCE_EVAL<br><br>Â Â Â METHOD Quickstep<br>Â Â Â <br>Â Â Â &SUBSYSÂ Â Â Â <br>Â Â Â <br>Â Â Â Â Â &CELL<br>Â Â Â Â Â Â Â Â Â ABC [angstrom]Â Â Â 5.000Â Â 5.000Â 5.000Â Â Â Â Â <br>Â Â Â Â Â &END CELL<br>Â Â Â Â Â <br>Â Â Â Â Â Â Â <br>Â Â Â Â Â &COORDÂ Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 2.75Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 3.50 0.0 <br>Â Â Â Â Â &END COORD<br>Â Â Â <br>Â Â Â &END SUBSYS<br>Â Â Â <br>Â Â Â &DFT<br>Â Â Â Â Â Â Â &QS<br>Â Â Â Â Â Â Â Â Â Â Â CLUSTER_EMBED_SUBSYS .TRUE.<br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â METHOD DFTB<br>Â Â Â Â Â Â Â Â Â Â Â &DFTB<br>Â Â Â Â Â Â Â Â Â Â Â Â Â SELF_CONSISTENTÂ Â Â T<br>Â Â Â Â Â Â Â Â Â Â Â Â Â &PARAMETER<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_PATHÂ DFTB/scc<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_NAMEÂ scc_parameter<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â UFF_FORCE_FIELDÂ ../uff_table<br>Â Â Â Â Â Â Â Â Â Â Â Â Â &END PARAMETER<br>Â Â Â Â Â Â Â Â Â Â Â &END DFTB<br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &END QS<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &POISSON<br>Â Â Â Â Â Â Â Â Â Â Â &EWALD<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â EWALD_TYPE SPME<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â GMAX 25<br>Â Â Â Â Â Â Â Â Â Â Â &END EWALD<br>Â Â Â Â Â Â Â Â Â Â Â POISSON_SOLVER ANALYTIC<br>Â Â Â Â Â Â Â &END POISSON<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &MGRID<br>Â Â Â Â Â Â Â Â Â NGRIDS 5<br>Â Â Â Â Â Â Â Â Â CUTOFF 600Â Â Â Â <br>Â Â Â Â Â Â Â Â Â REL_CUTOFF 60Â Â <br>Â Â Â Â Â Â Â &END MGRID<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &SCF<br>Â Â Â Â Â Â Â Â Â Â Â MAX_SCF 100Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â &OT<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PRECONDITIONER FULL_SINGLE_INVERSE<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â MINIMIZER DIIS<br>Â Â Â Â Â Â Â Â Â Â Â &END OT<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &END SCF<br>Â Â Â Â Â <br>Â Â Â &END DFT<br>Â Â Â <br>Â Â Â STRESS_TENSOR ANALYTICAL<br>Â <br>Â <br>&END FORCE_EVAL<br><br><br><br>!*******************************<br>!FORCE_EVA section 4<br>!<br>!Total system including H2O and H2<br>!*******************************<br>&FORCE_EVAL<br><br>Â Â Â METHOD Quickstep<br>Â Â Â Â <br>Â Â Â &SUBSYS<br>Â Â Â Â Â Â Â &CELL<br>Â Â Â Â Â Â Â Â Â Â ABC [angstrom]Â Â Â 5.000Â Â 5.000Â 5.000<br>Â Â Â Â Â Â Â &END CELL<br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â &COORD<br>Â Â Â Â Â Â Â Â Â Â Â OÂ Â Â Â Â 1.75Â 1.5Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.0Â Â 1.0Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 2.5Â Â 1.0Â 0.0Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 2.75Â 0.0Â Â <br>Â Â Â Â Â Â Â Â Â Â Â HÂ Â Â Â Â 1.75Â 3.50 0.0 <br>Â Â Â Â Â Â Â &END COORD<br>Â Â Â Â Â Â Â <br>Â Â Â &END SUBSYS<br>Â Â <br>Â Â Â &DFT<br>Â Â Â Â Â Â Â &QS<br>Â Â Â Â Â Â Â Â Â Â Â REF_EMBED_SUBSYS .TRUE.<br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â &OPT_EMBED<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â REG_LAMBDA 0.00001<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â N_ITER 3<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â DENS_CONV_INT 0.5<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â DENS_CONV_MAX 0.025<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â OPTIMIZER QUASI_NEWTON<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â GRID_OPT .FALSE.<br>Â Â Â Â Â Â Â Â Â Â Â &END OPT_EMBED<br>Â Â Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â !&OPT_DMFET<br>Â Â Â Â Â Â Â Â Â Â Â !&END<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â EPS_DEFAULT 1.0E-10Â Â !Default value: 1.00000000E-010<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â Â Â Â Â METHOD DFTB<br>Â Â Â Â Â Â Â Â Â Â Â &DFTB<br>Â Â Â Â Â Â Â Â Â Â Â Â Â SELF_CONSISTENTÂ Â Â T<br>Â Â Â Â Â Â Â Â Â Â Â Â Â &PARAMETER<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_PATHÂ DFTB/scc<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â PARAM_FILE_NAMEÂ scc_parameter<br>Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â UFF_FORCE_FIELDÂ ../uff_table<br>Â Â Â Â Â Â Â Â Â Â Â Â Â &END PARAMETER<br>Â Â Â Â Â Â Â Â Â Â Â &END DFTB<br>Â Â Â Â Â Â Â Â Â <br>Â Â Â Â Â Â Â 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<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Closing"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Signature"/>
<w:LsdException Locked="false" Priority="1" SemiHidden="true"
UnhideWhenUsed="true" Name="Default Paragraph Font"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text Indent"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="List Continue"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="List Continue 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="List Continue 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="List Continue 4"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="List Continue 5"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Message Header"/>
<w:LsdException Locked="false" Priority="11" QFormat="true" Name="Subtitle"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Salutation"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Date"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text First Indent"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text First Indent 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Note Heading"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text Indent 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Body Text Indent 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Block Text"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Hyperlink"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="FollowedHyperlink"/>
<w:LsdException Locked="false" Priority="22" QFormat="true" Name="Strong"/>
<w:LsdException Locked="false" Priority="20" QFormat="true" Name="Emphasis"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Document Map"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Plain Text"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="E-mail Signature"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Top of Form"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Bottom of Form"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Normal (Web)"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Acronym"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Address"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Cite"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Code"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Definition"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Keyboard"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Preformatted"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Sample"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Typewriter"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="HTML Variable"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Normal Table"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="annotation subject"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="No List"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Outline List 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Outline List 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Outline List 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Simple 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Simple 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Simple 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Classic 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Classic 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Classic 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Classic 4"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Colorful 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Colorful 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Colorful 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Columns 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Columns 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Columns 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Columns 4"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Columns 5"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 4"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 5"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 6"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 7"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Grid 8"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 4"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 5"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 6"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 7"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table List 8"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table 3D effects 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table 3D effects 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table 3D effects 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Contemporary"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Elegant"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Professional"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Subtle 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Subtle 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Web 1"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Web 2"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Web 3"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Balloon Text"/>
<w:LsdException Locked="false" Priority="39" Name="Table Grid"/>
<w:LsdException Locked="false" SemiHidden="true" UnhideWhenUsed="true"
Name="Table Theme"/>
<w:LsdException Locked="false" SemiHidden="true" Name="Placeholder Text"/>
<w:LsdException Locked="false" Priority="1" QFormat="true" Name="No Spacing"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading"/>
<w:LsdException Locked="false" Priority="61" Name="Light List"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
<w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
<w:LsdException Locked="false" Priority="34" QFormat="true"
Name="List Paragraph"/>
<w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
<w:LsdException Locked="false" Priority="30" QFormat="true"
Name="Intense Quote"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
<w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
<w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
<w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
<w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
<w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
<w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
<w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
<w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
<w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
<w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
<w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
<w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
<w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
<w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
<w:LsdException Locked="false" Priority="19" QFormat="true"
Name="Subtle Emphasis"/>
<w:LsdException Locked="false" Priority="21" QFormat="true"
Name="Intense Emphasis"/>
<w:LsdException Locked="false" Priority="31" QFormat="true"
Name="Subtle Reference"/>
<w:LsdException Locked="false" Priority="32" QFormat="true"
Name="Intense Reference"/>
<w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
<w:LsdException Locked="false" Priority="37" SemiHidden="true"
UnhideWhenUsed="true" Name="Bibliography"/>
<w:LsdException Locked="false" Priority="39" SemiHidden="true"
UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
<w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
<w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
<w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
<w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
<w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
<w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
<w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
<w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
<w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 1"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 1"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 1"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 2"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 2"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 2"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 3"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 3"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 3"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 4"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 4"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 4"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 5"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 5"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 5"/>
<w:LsdException Locked="false" Priority="46"
Name="Grid Table 1 Light Accent 6"/>
<w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
<w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
<w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
<w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
<w:LsdException Locked="false" Priority="51"
Name="Grid Table 6 Colorful Accent 6"/>
<w:LsdException Locked="false" Priority="52"
Name="Grid Table 7 Colorful Accent 6"/>
<w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
<w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
<w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
<w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
<w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
<w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
<w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
<w:LsdException Locked="false" Priority="46"
Name="List Table 1 Light Accent 1"/>
<w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
<w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
<w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
<w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
<w:LsdException Locked="false" Priority="51"
Name="List Table 6 Colorful Accent 1"/>
<w:LsdException Locked="false" Priority="52"
Name="List Table 7 Colorful Accent 1"/>
<w:LsdException Locked="false" Priority="46"
Name="List Table 1 Light Accent 2"/>
<w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
<w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
<w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
<w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
<w:LsdException Locked="false" Priority="51"
Name="List Table 6 Colorful Accent 2"/>
<w:LsdException Locked="false" Priority="52"
Name="List Table 7 Colorful Accent 2"/>
<w:LsdException Locked="false" Priority="46"
Name="List Table 1 Light Accent 3"/>
<w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
<w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
<w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
<w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
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