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<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Dear
</span><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>Alexander<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Thanks
for your reply.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Your
are right, it was just that no enough digit was print out.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Now
I obtain 11.6 e-7 transmission and you publish 11.82 e-7, this seems correct to
me. <o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Best
regards<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Virginie<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif";
color:#1F497D'><o:p> </o:p></span></p>
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<p class=MsoNormal><b><span lang=EN-US style='font-size:10.0pt;font-family:
"Tahoma","sans-serif"'>De :</span></b><span lang=EN-US style='font-size:
10.0pt;font-family:"Tahoma","sans-serif"'> pw_forum-bounces@pwscf.org
[mailto:pw_forum-bounces@pwscf.org] <b>De la part de</b> Alex Smogunov<br>
<b>Envoyé :</b> mard</span><span style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>i
19 avril 2011 11:14<br>
<b>À :</b> PWSCF Forum<br>
<b>Objet :</b> Re: [Pw_forum] questions about PWCOND<o:p></o:p></span></p>
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<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal>Dear Virginie.<span lang=EN-US style='font-size:10.5pt;
font-family:Consolas'><br>
</span><br>
2011/4/18 TRINITE Virginie <<a href="mailto:virginie.trinite@thalesgroup.com">virginie.trinite@thalesgroup.com</a>><o:p></o:p></p>
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<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span
lang=EN-US>Dear all,</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span
lang=EN-US>I try to use PWCOND, and I have two questions:</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
text-indent:35.4pt'><span lang=EN-US>>In which units are the boundary in the
input file (bdl, bds, bdr)?</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
text-indent:35.4pt'><span lang=EN-US> </span><o:p></o:p></p>
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<p class=MsoNormal><br>
They are in alat units.<br>
<o:p></o:p></p>
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<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
margin-left:35.4pt'><span lang=EN-US>>I have run the two examples 12 and 22
without problem and found results in agreement with the publications but when</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
margin-left:35.4pt'><span lang=EN-US>I try a more heavy system, I obtain zero
conductance.</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
margin-left:35.4pt'><span lang=EN-US>The example that I have used, is the
Magnetic Tunnel Junction given in Alexandre Smogounov’s home page.</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
margin-left:35.4pt'><span lang=EN-US>The program finished normally without
error or complain but all the transmission are nearly zero. </span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span
lang=EN-US>I didn’t check any convergence, because I want only to test
the program. Did I miss something?</span><o:p></o:p></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><span
lang=EN-US> </span><o:p></o:p></p>
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<p class=MsoNormal style='margin-bottom:12.0pt'><br>
I think it is normal since here you have a tunneling through an
insulating spacer and TMR effects.<br>
The conductances should get larger if you decrease the number of
isolating layers. <br>
<br>
All the best,<br>
Alexander<o:p></o:p></p>
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