[Wien] Problem in Band Structue plot in wien2k

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Sat Aug 17 13:53:38 CEST 2013


Maybe you forgot to replace "0.xxxx" by the Fermi energy (:FER in
Mn2FeSi.scf) in Mn2FeSi.insp.

On Sat, 17 Aug 2013, vivek jain wrote:

> 
> Dear Sir,
> 
> 
> I am running wien2k version on Ubuntu system.
> i am calculating for band structure of Mn2FeZ heusler alloys using PBE-GGA 96 approximation, Rmt*Kmax = 7.0 
> i give k-mesh point = 48 
> X lapw1 band up & down calculation successfully run. but when using Commandline: x spaghetti -up following problem occured. 
> 
> Commandline: x spaghetti -up 
> Program input is: "" 
>
>  number of k-points read in case.vector=         111
> forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/nrl/WIEN2k/Mn2FeZ/Mn2FeSi/Mn2FeSi.insp
> Image              PC        Routine            Line        Source 
> spaghetti          080CECCF  Unknown               Unknown  Unknown
> spaghetti          080CD9C5  Unknown               Unknown  Unknown
> spaghetti          080A94F1  Unknown               Unknown  Unknown
> spaghetti          0809630E  Unknown               Unknown  Unknown
> spaghetti          08095B92  Unknown               Unknown  Unknown
> spaghetti          08076956  Unknown               Unknown  Unknown
> spaghetti          08055B89  inview_                    32  inview.f
> spaghetti          0805B6D2  MAIN__                    363  spag.f
> spaghetti          0804A104  Unknown               Unknown  Unknown
> libc.so.6          400A44D3  Unknown               Unknown  Unknown
> 0.0u 0.0s 0:00.02 100.0% 0+0k 0+48io 0pf+0w
> error: command   /home/nrl/WIEN2k/spaghetti upspaghetti.def   failed
>
>     Continue with
> 
> [FORM]
> 
> --
> Warm Regards,
> Vivek Kumar Jain
> 09413635180
> 
>


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