[Wien] Reg: Error while running "x lapwso -band -dn"

[万博]

Dear Peram,
          I think the -up option in lapwso is only telling the program to
run a spin-polarized case,so there is no need to run commands like: x
lapwso -band -dn.
          Hope this could help you.

          Regards,
          Bo Wan


2013/7/28 Peram sreenivasa reddy <peramsreenivas at gmail.com>

> Dear Wien2k,
>
>                   I want to run spin orbit calculations in magnetic case
> to my system (XY2Z2-type, tetragonal).
> scf completed successfully. But when i tried to run band i got error. My
> commands are..
>
> x lapw1 -band -up
> x lapw1 -band -dn
> x lapwso -band -up
> x lapwso -band -dn
>
> when i entered "x lapwso -band -dn" , I got error like below..
>
>  ERROR IN OPENING UNIT:           9
>         FILENAME:
>  ./4k.vector
>
>     STATUS: old          FORM:unformatted
> OPEN FAILED
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>
> After this i run   x irrep -so -up
>                         x irrep -so -dn
>                         x spaghetti -so -up
>                         x spaghetti -so -dn
>
> remaining commands are running without any error.
>
> Finally i got the same band structures for both up and down.
>
>
> For another compounds also  ( which are same XY2Z2-type, tetragonal) I am
> getting the same type of error at the same command.*.
>
>
> *Please give me suggestions..
>
>
> Thanking you in advance..
>
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