[Pw_forum] Number of bands in bands_FS

[Eyvaz Isaev]

Dear Niki,

In fact, there is no limitation for bands to read, as far as I remember. Program stops if one tries to read more than the number of KS-bands.

Please send me your output files to see a possible reason.

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 Thu, 1/7/10, Nicki Frank Hinsche <nicvok at freenet.de> wrote:

> From: Nicki Frank Hinsche <nicvok at freenet.de>
> Subject: [Pw_forum] Number of bands in bands_FS
> To: pw_forum at pwscf.org
> Date: Thursday, January 7, 2010, 4:56 PM
> Dear all (especially dear Eyvaz
> Isaev),
> 
> why it is not possible to read in more than 8 bands using
> bands_FS?  
> The program bands_FS reads the pre-calculated bandstructure
> for a  
> given k-mesh (kvecs_FS). Lets say I have chosen 18
> (everything higher  
> than 8) bands for this calculation. Than the program
> bands_FS  
> interrupts in the post process with the following error
> message:
> 
> forrtl: severe (59): list-directed I/O syntax error, unit
> 5, file stdin
> Image             
>          
>    PC       
> Routine             
>     
> Line        Source
> bands_FS.x     
>    0804B894  MAIN__     
>            327 
> bands_FS.f90
> 
> 
> so I have tried to decrypt the code, but I didn't get
> inside. Clearly  
> it something wrong with the parameter nlines, which changes
> if nbands  
>  > 8 - but I don't get it.
> 
> Has anyone an idea what's going wrong?
> 
> Thanks a lot...
> Nicki
> 
> 
> -------------------------------------------------------------
> Nicki Frank Hinsche, Dipl. Phys.
> Institut für Physik - Theoretische Physik,
> Martin-Luther-Universität Halle-Wittenberg,
> Von-Seckendorff-Platz 1, Raum 1.07
> D-06120 Halle/Saale, Germany
> Tel.: ++49 345 5525460
> -------------------------------------------------------------
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