[Wien] Help for the software BoltzTrap!

[Pan Zhijun]

Hi,users of wien2k,
     I'm the user of wien2k and have installed the software BoltzTrap which
is a software for calculating the transport coefficients. The software
BoltzTrap I installed can run for the examples CoSb3 and Bi2Te3. However,I
encounter some problems when using this software for other cases.I have the
following problems to turn to the users who are familiar with the software
for help.
     1)The file case.intrans is generated automatically by the x_trans
script, isn't it?
     2)In the file case.intrans,for example in the CoSb3.intrans provided by
the author,240 is the number of electrons.Why is the number of electrons
240?Here,what does the "electrons" include,all valence electrons or all
outside subshell electrons?
     3)If I copy the content of CoSb3.intrans of the example CoSb3 provided
by the software into a case.instrans which is in a subdirectory where
case.struct and case.energy have been created,then change the number of
electrons according to actual case,can the calculation for transport
coefficients been performed successfully?
     Thank you in advance.
      Best regards!

Yours sincerely,
                                                                      
                                                                      
                                                      Kedy

08/01/06
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