Dear Amhed Amine (and loads of other lazy students and persons....) have you ever read these lines....
" Life for subscribers of pw_forum will be easier if everybody complies with the following guidelines: Before posting, please: browse or search the archives – links are available above. Most questions are asked over and over again. Also: make an attempt to search the available documentation, notably the FAQ, the General documentation, and the Input Data Description. The answer to most questions is already there. ....... 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. " Actually this is not even work, is just knowing what a file path is! Dr. Davide tiana School of Chemistry, UCC Cork Ireland ________________________________ Today's Topics: 3. Error in routine readpp (ahmed amine) 4. Re: Error in routine readpp (Thomas Brumme) Dr. rer. nat. Thomas Brumme Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry Leipzig University Phillipp-Rosenthal-Strasse 31 ------------------------------ Message: 4 Date: Tue, 15 Aug 2017 09:50:56 +0200 From: Thomas Brumme <[email protected]> Subject: Re: [Pw_forum] Error in routine readpp To: [email protected] Message-ID: <[email protected]> Content-Type: text/plain; charset="windows-1252" Hello Mr. X, first of all it would be nice to follow these set of rules which I think you needed to agree upon registering: http://www.quantum-espresso.org/forum/#1.0 One point is: Sign your post with your name and affiliation. Another: Remember that even experts cannot guess where a problem lies in the absence of sufficient information. Without your input and the version of QE you're using we cannot help. Furthermore, the error says: "file ... not found" - I think the error itself is pretty self-explanatory... Kind regards and looking forward to helping you more Thomas On 08/14/17 18:32, ahmed amine wrote: > Hello, > > I am a new qe user and i have this: > > Error in routine readpp (696): > file /home/ubuntu/espresso/pseudo/7100 not found > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > How to fix it? > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Dr. rer. nat. Thomas Brumme Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry Leipzig University Phillipp-Rosenthal-Strasse 31 04103 Leipzig Tel: +49 (0)341 97 36456 email: [email protected] -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20170815/145ae05f/attachment-0001.html ------------------------------ Message: 5 Date: Tue, 15 Aug 2017 14:22:01 +0530 From: sayan chaudhuri <[email protected]> Subject: Re: [Pw_forum] Require help in calculating Mixing energy To: PWSCF Forum <[email protected]> Message-ID: <CALCDb0kSKjLagjKd5Zaw2Sx=02hq417w6anx0bvtvrk__v3...@mail.gmail.com> Content-Type: text/plain; charset="utf-8" Sayan Chaudhuri Research Scholar IIT Indore On Tue, Aug 15, 2017 at 2:19 PM, sayan chaudhuri <[email protected]> wrote: > Dear QE experts, > > I am trying to calculate the mixing energy of my alloy system Fe2TiSn, > a full heusler alloy. I have the following few questions regarding the same. > 1. Is there any easier way(a module maybe) then calculate the energies of > individual constituents and subtracting from the system energies? > 2. When i am doing a relax calculation for Sn atom it is giving the > following error, > > *Not enough space allocated for radial FFT: try restarting with a larger > cell_factor* > > What can be the reason for this? > I am attaching my input and the output file. Please suggest me some > solution to the problem. > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20170815/3bc921c8/attachment-0001.html ------------------------------ _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum Pw_forum Info Page - Quantum ESPRESSO<http://pwscf.org/mailman/listinfo/pw_forum> pwscf.org This is the mailing list for discussions about the Quantum ESPRESSO distribution. Only registered users can post. To see the collection of prior postings to the list ... End of Pw_forum Digest, Vol 121, Issue 15 *****************************************
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