[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....
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20180513/4ca2f4fb/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: HgSe.win
Type: application/octet-stream
Size: 4789 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20180513/4ca2f4fb/attachment.obj>
More information about the Wannier
mailing list