[Wien] Reg: Error in running of wannier90 with AFM+SOC+U

Peram sreenivasa reddy peramsreenivas at gmail.com
Tue Mar 26 09:56:06 CET 2019


Dear Wien2k,

I have successfully completed scf, band and dos calculations with AFM+SOC+U.
The flow of commands to initiate the wannier90 calculations are
>   (init_w2w) options: -up -so
> (x) kgen -fbz
> (x) wannier90 -pp
> (x) lapw1 -up -orb -p
> (x) lapw1 -dn -orb -p
> (x) lapwso -up -orb -p
> (x) w2w -up -so -p
> (x) w2w -dn -so -p
> (x) wannier90 -up -so
> (x) -f super w2waddsp
All the steps went fine except (x) wannier90 -up -so, where got
"Exiting.......
 super.amn has not the right number of Wannier functions"

error in case.wout file.

Please let me know the flow of commands  for AFM+SOC+U case. I am thinking
the commands flow may be wrong.

Thanking you.


-- 
*P.V.SREENIVASA REDDY*
*Post Doctoral Research Fellow*
*Department of Physics, *
*Physics Building 2,*
*NCKU, Tainan, Taiwan*
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