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
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
* 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
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
c
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