[Wien] Need Help In BoltzTrap Code

Gregory Pomrehn gpomrehn at caltech.edu
Mon Oct 8 18:36:53 CEST 2012


In this case Ef (Fermi energy) and chemical potential (mu) are synonymous
and s/T probably stands for Sigma/Tau.  The data in each column is as you
would expect.

NOCALC can be used if you are restarting a calculation and can read the
expansion coefficients from file.

I don't understand your last question.

Greg


On Mon, Oct 8, 2012 at 3:18 AM, SANJAY KUMAR SINGH <sanjayfizix at gmail.com>wrote:

> Respected G. K. H Madsen Sir and All Wien2k Users,
>
> I am trying to compute Transport properties by using BoltzTrap code. I have
> successfully installed this code. When I tried  for run test for CoSb3 I
> got case.trace, case.condtence file and case.halttence etc.  file in which
> output is written. I am unable to find the value of chemical potential in
> all file while in manual page no. 4 given that first column of the
> case.trace file is μ (chemical potential) but I found Ef(Ry) in all output
> file instead of μ. Similarly, in column 6 i found s/τ instead of σ/τ. And
> what is the meaning of NOCALC  in case.intrans file can any one give detail
> description. Which data should we take from case.intrans first iteration
> data or last iteration.
>
> Please help regarding this. I will be very grateful to you all.
>
>
>
> Regards,
>
> Sanjay
>
>
>
> *"DO HELP WHO NEED HELP"*
>
> *
>
> *
>
> *SANJAY KUMAR SINGH*
>
> SCHOOL OF STUDIES IN PHYSICS
>
> JIWAJI UNIVERSITY,
>  GWALIOR - 474 011
>
>
>
>
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