<div dir="ltr"><span id="result_box" class="" lang="en"><span class="">Excuse me . i now attach the file.<br></span></span></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Feb 5, 2014 at 11:08 PM, Hadi Arefi <span dir="ltr"><<a href="mailto:hadi.arefi@tyndall.ie" target="_blank">hadi.arefi@tyndall.ie</a>></span> wrote:<br>

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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">Hi,<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">Not quite sure but I think some parameter(s) has changed in the <a href="http://pp.in" target="_blank">pp.in</a> name list in recent version compare to old ones as it was discussed while ago in the forum.
 Better you just download the new example folder as well or modify it based on new changes.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">By the way I didn’t get your attachment so I think nobody did.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d">H.<u></u><u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1f497d"><u></u> <u></u></span></p>
<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"" lang="EN-US">From:</span></b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"" lang="EN-US"> <a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a> [mailto:<a href="mailto:pw_forum-bounces@pwscf.org" target="_blank">pw_forum-bounces@pwscf.org</a>]
<b>On Behalf Of </b>ehsan targholi<br>
<b>Sent:</b> 05 February 2014 18:50<br>
<b>To:</b> PWSCF Forum<br>
<b>Subject:</b> Re: [Pw_forum] charge density cal.<u></u><u></u></span></p><div><div class="h5">
<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">Dear all <u></u><u></u></p>
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<p class="MsoNormal">thanks a lot for your reply<u></u><u></u></p>
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<p class="MsoNormal">i use Example 5 of the QE-4.3.2 with espresso 5.3.2<u></u><u></u></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt">i attached my input file. pleas explore input file and guide me again.<br>
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<u></u><u></u></p>
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<p class="MsoNormal">best regard<u></u><u></u></p>
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<p class="MsoNormal">ehsan targholi<u></u><u></u></p>
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<p class="MsoNormal">graduate student of iust<u></u><u></u></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><u></u> <u></u></p>
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<p class="MsoNormal">On Wed, Feb 5, 2014 at 9:06 PM, Manu Hegde <<a href="mailto:mhegde@uwaterloo.ca" target="_blank">mhegde@uwaterloo.ca</a>> wrote:<u></u><u></u></p>
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<p class="MsoNormal"><span style="font-family:"Arial","sans-serif"">please give the input information as well!<u></u><u></u></span></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><u></u> <u></u></p>
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<p class="MsoNormal">On Wed, Feb 5, 2014 at 11:43 AM, ehsan targholi <<a href="mailto:targholi@gmail.com" target="_blank">targholi@gmail.com</a>> wrote:<u></u><u></u></p>
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<p class="MsoNormal">hi <u></u><u></u></p>
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<p class="MsoNormal">espresso users<u></u><u></u></p>
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<p class="MsoNormal">i want to obtain the charge density of si in example 5. but when i use pp.x calculation with &inputpp namelist, after scf , give this error:<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<u></u><u></u></p>
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<p class="MsoNormal">     Error in routine postproc (1):<u></u><u></u></p>
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<p class="MsoNormal">     reading inputpp namelist<u></u><u></u></p>
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<p class="MsoNormal"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">     stopping ...<u></u><u></u></p>
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<p class="MsoNormal"> what is my mistake ? <u></u><u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">best regard<u></u><u></u></p>
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<p class="MsoNormal"><span style="color:#888888"><u></u> <u></u></span></p>
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<p class="MsoNormal"><span style="color:#888888">ehsan targholi<u></u><u></u></span></p>
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<p class="MsoNormal"><span style="color:#888888">graduate student of iust<u></u><u></u></span></p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal">_______________________________________________<br>
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<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal"><br>
_______________________________________________<br>
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<p class="MsoNormal"><u></u> <u></u></p>
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