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<div>Dear Amhed Amine (and loads of other lazy students and persons....)</div>
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<div>have you ever read these lines....</div>
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Description. The answer to most questions is already there.</div>
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<div><b><span style="font-size: 20pt;">Finally, please note that the mailing list is not a replacement for your own work, nor is it a replacement for your thesis director’s work.</span></b></div>
"
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<p>Actually this is not even work, is just knowing what a file path is!</p>
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Ireland</div>
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<div id="x_divRplyFwdMsg" dir="ltr"><span style="font-size: 10pt;">Today's Topics:</span><br>
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<div class="PlainText"> 3. Error in routine readpp (ahmed amine)<br>
4. Re: Error in routine readpp (Thomas Brumme)<br>
<div>Dr. rer. nat. Thomas Brumme</div>
<div>Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry</div>
<div>Leipzig University</div>
<div>Phillipp-Rosenthal-Strasse 31</div>
<br>
<br>
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<div class="PlainText">------------------------------<br>
<br>
Message: 4<br>
Date: Tue, 15 Aug 2017 09:50:56 +0200<br>
From: Thomas Brumme <thomas.brumme@uni-leipzig.de><br>
Subject: Re: [Pw_forum] Error in routine readpp<br>
To: pw_forum@pwscf.org<br>
Message-ID: <36714aab-c121-be53-8a04-211591d2dd3a@uni-leipzig.de><br>
Content-Type: text/plain; charset="windows-1252"<br>
<br>
Hello Mr. X,<br>
<br>
first of all it would be nice to follow these set of rules which I think <br>
you needed to agree upon registering:<br>
<br>
<a href="http://www.quantum-espresso.org/forum/#1.0" id="LPlnk470948" previewremoved="true">http://www.quantum-espresso.org/forum/#1.0</a><br>
<br>
<br>
One point is:<br>
<br>
Sign your post with your name and affiliation.<br>
<br>
Another:<br>
<br>
Remember that even experts cannot guess where a problem lies in the <br>
absence of sufficient information.<br>
<br>
Without your input and the version of QE you're using we cannot help. <br>
Furthermore, the error says: "file ... not found" - I think the error <br>
itself is pretty self-explanatory...<br>
<br>
Kind regards and looking forward to helping you more<br>
<br>
Thomas<br>
<br>
<br>
On 08/14/17 18:32, ahmed amine wrote:<br>
> Hello,<br>
><br>
> I am a new qe user and i have this:<br>
><br>
> Error in routine readpp (696):<br>
> file /home/ubuntu/espresso/pseudo/7100 not found<br>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
><br>
> How to fix it?<br>
><br>
><br>
><br>
><br>
><br>
> _______________________________________________<br>
> Pw_forum mailing list<br>
> Pw_forum@pwscf.org<br>
> <a href="http://pwscf.org/mailman/listinfo/pw_forum" id="LPlnk793883" previewremoved="true">
http://pwscf.org/mailman/listinfo/pw_forum</a><br>
<br>
<br>
-- <br>
Dr. rer. nat. Thomas Brumme<br>
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry<br>
Leipzig University<br>
Phillipp-Rosenthal-Strasse 31<br>
04103 Leipzig<br>
<br>
Tel: +49 (0)341 97 36456<br>
<br>
email: thomas.brumme@uni-leipzig.de<br>
<br>
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Message: 5<br>
Date: Tue, 15 Aug 2017 14:22:01 +0530<br>
From: sayan chaudhuri <csayan895@gmail.com><br>
Subject: Re: [Pw_forum] Require help in calculating Mixing energy<br>
To: PWSCF Forum <pw_forum@pwscf.org><br>
Message-ID:<br>
<CALCDb0kSKjLagjKd5Zaw2Sx=02hQ417w6anX0BvTVRK__V3_VQ@mail.gmail.com><br>
Content-Type: text/plain; charset="utf-8"<br>
<br>
Sayan Chaudhuri<br>
Research Scholar<br>
IIT Indore<br>
<br>
On Tue, Aug 15, 2017 at 2:19 PM, sayan chaudhuri <csayan895@gmail.com><br>
wrote:<br>
<br>
> Dear QE experts,<br>
><br>
> I am trying to calculate the mixing energy of my alloy system Fe2TiSn,<br>
> a full heusler alloy. I have the following few questions regarding the same.<br>
> 1. Is there any easier way(a module maybe) then calculate the energies of<br>
> individual constituents and subtracting from the system energies?<br>
> 2. When i am doing a relax calculation for Sn atom it is giving the<br>
> following error,<br>
><br>
> *Not enough space allocated for radial FFT: try restarting with a larger<br>
> cell_factor*<br>
><br>
> What can be the reason for this?<br>
> I am attaching my input and the output file. Please suggest me some<br>
> solution to the problem.<br>
><br>
><br>
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