[Wannier] Problem in finding Electronic transport property using boltzwann module of Wannier90

Mayuri Vaghela mayurivaghela84 at gmail.com
Sun May 13 14:59:48 CEST 2018


Dear all wannier users,

i am finding electronic transport property of ZNS-HgSe using boltzwann, i
have taken simple input including all bands contribution for calculating
electronic conductivity and other parameters but all the parameters are
found to be zero in any either direction so i kindly request what should i
change in HgSe.win file get non zero contribution of these parameters,

I have already change kmesh parameters 20,40,60 and also change chemical
potential from 5 to 8 by keeping 0 K constant, also change temperature form
0K to 900K by keeping chemical potential constant which is equal to its
fermi energy.
I attach my last modified HgSe.win file with this mail.

I know that zinc blend HgSe is semimetal so it has some conductivity but i
get zero electrical conductivity, thermal conductivity, TDF, thermoelectric
power etc.

please help me....
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