[Wien] so interaction

Hemza Kouarta hemzakouarta.phy at gmail.com
Wed Mar 26 15:31:13 CET 2014


Hi ,

I am running wien2k 11 ,i tried tu run "so" with "orb"+dm .
i fellow the instruction : i run "sp" ,then so,then orb , but ,
when i switching to "-orb" it give me an error in "uporb" after lapw0 as :
lapw0 stop error

my struct is hexagonal "2H-NbSe2" doped with Fe,


2014-03-25 20:17 GMT+01:00 Hemza Kouarta <hemzakouarta.phy at gmail.com>:

> Hi,
>
> I have qst about "sp" calculation with "so" interaction :
>
> If we are able to run "sp" with "so" ,and calculating all v element matrix
> by chanching kpot to 1 in case.inso ,why we dont'n have "x lapwso -dn" ?
>
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