[Wien] reg: dHvA affect

[Swetarekha Ram]

>
> Dear WIEN2k users,
>


>
>              I am trying to use the SKEAF programme to calculate the de
> Haas–van Alphen
> frequencies from the band energy. I tried to explore the dHvA frequency.
> But  I have
> some doubt.
>
> My system is cubic system.
>
> What actually I did:
>
> 1.Reading data from the bxsf file.
>
> 2. Number of interpolated k-points per single new cell side : 100
>
> 3. H-vector: a
>
> 4. Minimum allowed extremal Fermi surface : 0 (to allow all extremal
> frequencies)
>
> 5. set the parameters used for determining which orbits are multiple
> copies of one another and
> therefore should be averaged together: 0.01 (for default = 1%)
>
> 6. Maximum distance (fraction of RUC side length) between average
> coordinates for orbit averaging:
> 0.05 for default = 5% of RUC side lengths
>
> 7. Allow extremal orbits located near super-cell walls: n (no)
>
> After this I got the output as below :
> But I did not understand why it is repeating  the results, and what is my
> actual
> frequency ?
>
Theta(deg),Phi(deg),Freq(kT),mstar(me),Curv(kTA2),Type(+e-h),NumOrbCopy
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36
0.000000, 90.000000, 1.198341E+00, 2.021696E-01, 3.241156E+01, 1.000, 36
0.000000, 90.000000, 2.711308E+00, 5.360993E-01, 3.452623E+00,-1.000, 36
0.000000, 90.000000, 2.819064E+00, 9.334585E-01, 5.781226E+02, 1.000, 12
0.000000, 90.000000, 3.196647E+00, 4.017080E-01, -8.835686E+01, 1.000, 27
0.000000, 90.000000, 5.510299E+00, 7.560004E-01, 6.851951E+02,-1.000, 12
0.000000, 90.000000, 6.176008E+00, 5.662643E-01, 1.599401E+02,-1.000, 27



Can any one explain more  details about this ?
Previously I sent the same but I did not get any reply still.
This time I am expecting some response.

Thanking you


-- 
Swetarekha Ram,
Research Scholar,
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