[Pw_forum] Figure of Merit(ZT)

ade wale adewaleakeem12 at gmail.com
Thu May 11 12:31:51 CEST 2017


Dear Sir,
Am a PhD candidate Universiti Malaysia Perlis in department of Materials
engineering.
BoltzTraP code was used to determine ZT.
Quantum espresso software were used, in scf calculation there is occupation
under system 'namelist'  in input file.(with occupation means using
smearing for occupation in scf file, and tetrahedral for nscf file).
The k-mesh is the number of k-point used.
Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170511/65faed96/attachment.html>


More information about the users mailing list