[Wien] Wave function

Sergio Yanuen Rodriguez srodriguez at physics.tamu.edu
Tue Sep 23 23:22:22 CEST 2008


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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