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<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:
"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";color:black">Dear
all,</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:12.0pt;font-family:"Times New Roman","serif";
mso-fareast-font-family:"Times New Roman""><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">I am relaxing a 60 atom
supercell (graphene grain boundary) to make the total force on atoms mainly
0.001 Ry/au. However the vc-relax stopped after 4 days of execution and without
reaching the desired force threshold. The following output was obtained :<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">1st relaxation process:<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">Total force 0.091
Pressure =- 114.1 kbar<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">2nd relaxation process:<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">total force 0.1
Pressure = -55 kbar<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">(new enthalpy < old
enthalpy)<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">3rd process: <o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">total force = 0.058
pressure = -11 kbar<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black">Then in the 4th process,
calculations stopped. Here are the last few lines of the output:<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">iteration # </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">2 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">ecut= </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">36.75 Ry </span><span style="font-size:
10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">beta=0.30<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Davidson diagonalization
with overlap<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">5 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">1 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">3 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">1 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">4 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">4 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">4 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">4 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">5 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">5 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">2 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">2 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">ethr = </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">2.90E-04, </span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">avg # of iterations =
17.6<br>
<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">negative rho (up,
down): </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.132E-01 0.000E+00<br>
<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">total cpu time spent up
to now is 382283.13 secs<br>
<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">total
energy </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">= </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-676.77947904
Ry<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Harris-Foulkes
estimate </span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">= </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-676.82846513 Ry<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">estimated scf
accuracy </span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">< </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.17363554 Ry<br>
<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">iteration # </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">3 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">ecut= </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">36.75 Ry </span><span style="font-size:
10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">beta=0.30<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Davidson diagonalization
with overlap<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">1 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">1 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">2 eigenvalues not converged<br>
</span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">c_bands: </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">3 eigenvalues not converged</span><span style="font-size:10.0pt;
font-family:"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";
color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">The input of the
vc-relax is:</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">&control</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">prefix='GBphonon',</span><span style="font-size:10.0pt;font-family:
"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">calculation='vc-relax',</span><span style="font-size:10.0pt;
font-family:"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";
color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">restart_mode='from_scratch',</span><span style="font-size:10.0pt;
font-family:"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";
color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">tstress=.true.,</span><span style="font-size:10.0pt;font-family:
"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">tprnfor=.true,</span><span style="font-size:10.0pt;font-family:
"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">pseudo_dir =
'/exp/home/caiapo/emoujaes/espresso/espresso-4.3/Pseudo/',</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">outdir='/exp/home/caiapo/emoujaes/espresso/Moujaes-Results/',</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> /</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> &system </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">ibrav= 0, celldm(1) =1.889725989, nat=60, ntyp= 1, ecutwfc
=36.749309, occupations='smearing', smearing='mp',degauss=0.01</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">/</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> &electrons</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">conv_thr=1.D-6, </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">mixing_beta=0.3D0,</span><span style="font-size:10.0pt;font-family:
"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">diago_david_ndim=2,</span><span style="font-size:10.0pt;
font-family:"Tahoma","sans-serif";mso-fareast-font-family:"Times New Roman";
color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> /</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">&ions</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> ion_dynamics='bfgs'</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">/</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">$cell</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">cell_dynamics='bfgs',</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">/</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">CELL_PARAMETERS (alat)</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">24.064488464 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">0.000772242 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">6.503051170 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">0.000000000 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">8.470514812</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">ATOMIC_SPECIES</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">12.0107 </span><span style="font-size:10.0pt;mso-bidi-font-size:
11.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C.blyp-mt.UPF</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">ATOMIC_POSITIONS
(angstrom)</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-11.330758616 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-3.527803203 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-10.659793092 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-1.160339161 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-12.039843315 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-7.112619698 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-12.041158182 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-5.732701936 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">C </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">-10.941089654 </span><span style="font-size:10.0pt;
mso-bidi-font-size:11.0pt;font-family:"Courier New";mso-fareast-font-family:
"Times New Roman";color:black"> </span><span style="font-size:10.0pt;
font-family:"Courier New";mso-fareast-font-family:"Times New Roman";color:black">-4.881442842 </span><span style="font-size:10.0pt;mso-bidi-font-size:11.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black"> </span><span style="font-size:10.0pt;font-family:"Courier New";mso-fareast-font-family:"Times New Roman";
color:black">0.000000000</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">......</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Please can anyone advice
me on this? Shall I start with the new configuration and start relaxing again?</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Regards</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";
mso-fareast-font-family:"Times New Roman";color:black"><o:p> </o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">Elie Moujaes</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">University of Nott</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">University Park </span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
line-height:normal"><span style="font-size:10.0pt;font-family:"Courier New";
mso-fareast-font-family:"Times New Roman";color:black">NGT 3RD</span><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif";mso-fareast-font-family:
"Times New Roman";color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p> </div></body>
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