[Wien] Need Help In BoltzTrap Code

Gregory Pomrehn gpomrehn at caltech.edu
Fri Oct 12 18:53:51 CEST 2012


The third line of case.intrans lets you specify the range of values for the
chemical potential.  If the third line starts with "0.0 0.01 0.25" then it
will calculate the transport properties for a chemical potential of 0.0 +/-
0.25 in increments of 0.01 and this will be given in the 1st column of
case.trace.   Each iteration for a given chemical potential likely
corresponds to a different temperature, which changes the fermi integrals.
 If you are looking for properties as a function of chemical potential,
then you will need to extract each row for a given temperature (column 2).

Greg


On Tue, Oct 9, 2012 at 3:31 AM, SANJAY KUMAR SINGH <sanjayfizix at gmail.com>wrote:

> * Dear Gregory Pomrehn* and all wien2k users,
>
> Thank you so much for kind and quick reply. My last question was that, As
> you know in case.trace file there is lots of data in which all transport
> coefficient are given in different column in  given temperature range. So
> my question is that which  data we should take last one (last iteration) or
> first one from case.trace file in given temperature range ?. And how can we
> say that* (chemical potential)μ* = Ef (fermi enrgy) as you told in
> earlier reply if it is synonymous then how can we calculate different
> transport coefficient at different chemical potential ? Because  I am
> getting fixed value  in case.trace file for Ef.  Then how can we plot
> different transport coefficient* with variation with  μ. Kindly give your
> guidance regarding this. *I will be remain grateful to you*. Please give
> comment.....
>
>
>
> Regards,
>
> Sanjay
>
>
>
> *
>
> *"DO HELP WHO NEED HELP"*
>
> *
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> *
>
> *SANJAY KUMAR SINGH*
>
> SCHOOL OF STUDIES IN PHYSICS
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