[Wien] Reg: Will -qtl will work along with -so and -orb

[Peram sreenivasa reddy]

Dear Gavin Sir,

I got the point.

Thank you very much.

Thanking you.


On Tue, Mar 19, 2019 at 9:55 AM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> I suggest the readings:
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18243.html
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16889.html
>
>
> On 3/18/2019 9:32 PM, Peram sreenivasa reddy wrote:
>
> Dear Wien2k,
>
> I am trying to get the DOS for a system which i included -so and -orb.
> My scf calculation successfully completed with "runsp_lapw -so -orb -ec
> 0.000001 -p".
>
> I tried "x lapw2 -qtl -so -orb -up -p". It is ended with an error
>  "ERROR: -qtl and -orb switches are not compatible
> Unmatched '.
> "
> After this i checked "x -h lapw2" as it is showing bellow.
> x lapw2 [-c -up/-dn -p -so -orb -qtl -alm -almd -qdmft -fermi -efg -hf
> -redklist -band -eece -vresp -in1orig -help_files -emin X -all X Y -scratch
> dir ]
>
> It indicates lapw2 will allow -qtl, -so and -orb. Is it correct?
>
> Thank you very much in advance.
>
> Thanking you.
>
>
>
>
>
>
> --
> *P.V.SREENIVASA REDDY*
> *Post Doctoral Research Fellow*
> *Department of Physics, *
> *Physics Building 2,*
> *NCKU, Tainan, Taiwan*
>
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-- 
*P.V.SREENIVASA REDDY*
*Post Doctoral Research Fellow*
*Department of Physics, *
*Physics Building 2,*
*NCKU, Tainan, Taiwan*
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