[Wien] Wave function

[Peter Blaha]

First line gives "atom and radial mesh parameters" (r_i=r0*exp((i-1)*dx)
second the "l" value.

      IF(MODUS.EQ.'ALM  ') then
         write(23,4645)jatom,jri(jatom),r0(jatom),dx(jatom),rmt(jatom)
         do l=0,lmax2
            write(23,*) l
....
               write(23,4646) 
(RRAD1(jrj,l),RRAD2(jrj,l),RADE1(jrj,l),RADE2(jrj,l), &
a1lo(jrj,1,l),b1lo(jrj,1,l),a1lo(jrj,2,l),b1lo(jrj,2,l),jrj=1,jri(jatom))

Do you understand what is printed in the columns ? (large and small 
component of u and u-dot and local orbitals)

Is it clear how large and small components should be used ? (search for 
"CIN" in l2main.F)

Sergio Yanuen Rodriguez schrieb:
> Dear Wien2k users
> 
> I am trying to obtain the wavefunction for the conduction band, I already
> have the case.almblm and case.radwf files, the case.radwf gives u and
> udot, Does any one know what do the first two lines mean?
> 
> The case.radwf looks like this
> 
> -->   1 781   0.0001000000   0.0129828604   2.5000000000
> -->           0
>        0.4016549624E-02    0.0000000000E+00    0.1225447025E-02
>       -0.3587879885E-01    0.0000000000E+00    0.0000000000E+00
>        0.4064426145E-02    0.0000000000E+00    0.1240054124E-02
>       -0.3630646743E-01    0.0000000000E+00    0.0000000000E+00
>        0.4112873345E-02    0.0000000000E+00    0.1254835338E-02
>       -0.3673923374E-01    0.0000000000E+00    0.0000000000E+00
>        0.4161773923E-02    0.0000000000E+00    0.1269754875E-02
>       -0.3717717616E-01    0.0000000000E+00    0.0000000000E+00
>        0.4210991805E-02    0.0000000000E+00    0.1284771217E-02
>         .
>         .
>         .
> 
> Thank you for your help
> 
> Sergio Y. Rodriguez
> Physics Department
> Texas A&M University
> 
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