[Wien] reg: dHvA

Swetarekha Ram swetarekharam at gmail.com
Sun Aug 19 15:45:34 CEST 2012


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 ?

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,
Dept. of Physics,
IIT Hyderabad.
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