[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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