[Pw_forum] GIPAW

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Dec 31 10:24:30 CET 2008


Dear Sezgin,

Most likely you did not compile gipaw code. Just type "make gipaw" to do it.

Bests,
Eyvaz. 

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Wed, 12/31/08, sezginaydin at gazi.edu.tr <sezginaydin at gazi.edu.tr> wrote:

> From: sezginaydin at gazi.edu.tr <sezginaydin at gazi.edu.tr>
> Subject: [Pw_forum] GIPAW
> To: pw_forum at pwscf.org
> Date: Wednesday, December 31, 2008, 8:44 AM
> Hi,
> I am a new PWScf user.I did install espresso-4.0.1 to my
> computer successfully.
> I want to work with GIPAW routine. When I run the
> GIPAW-example in
> /examples/GIPAW_example, I get the following error message:
> --------------------------
> /home/sezgin/Desktop/espresso-4.0.1/examples/GIPAW_example
> : starting
> 
> This example shows how to use gipaw.x to calculate:
> 1) susceptibility and NMR chemical shift of Si and diamond
> 2) NMR chemical shift of two molecules: CH4 and C2H4
> 3) electric field gradients (EFG) in bulk quartz (this was
> example24)
> 
>   executables directory:
> /home/sezgin/Desktop/espresso-4.0.1/bin
>   pseudo directory:     
> /home/sezgin/Desktop/espresso-4.0.1/examples/GIPAW_example/pseudo
>   temporary directory:   /home/sezgin/tmp
>   checking that needed directories and files exist...
> ERROR: /home/sezgin/Desktop/espresso-4.0.1/bin/gipaw.x not
> existent or not
> executable
> Aborting
> --------------------------
> How can I solve my problem.
> 
> Res.Ass.Sezgin AYDIN
> Department of Physics
> Gazi Unv.,TURKEY
> 
> 
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