[Pw_forum] Error in routine readpp

[Tiana, Davide]

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 <thomas.brumme at uni-leipzig.de>
Subject: Re: [Pw_forum] Error in routine readpp
To: pw_forum at pwscf.org
Message-ID: <36714aab-c121-be53-8a04-211591d2dd3a at uni-leipzig.de>
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
> Pw_forum at pwscf.org
> 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: thomas.brumme at uni-leipzig.de

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Message: 5
Date: Tue, 15 Aug 2017 14:22:01 +0530
From: sayan chaudhuri <csayan895 at gmail.com>
Subject: Re: [Pw_forum] Require help in calculating Mixing energy
To: PWSCF Forum <pw_forum at pwscf.org>
Message-ID:
        <CALCDb0kSKjLagjKd5Zaw2Sx=02hQ417w6anX0BvTVRK__V3_VQ at 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 <csayan895 at gmail.com>
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.
>
>
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