Hi Mayuri,
if you are interested in the effective masses relevant to charge
transport (DOS mass and conductivity mass) in a semiconductor or
insulator (with a bandgap) you can use the EMAF code
https://github.com/PatrizioGraziosi/EMAF-code
From QE you do scf --> nscf (finer grid) --> fs.x to save a bxsf file
Then, the bxsf file can be used to be converted by a routine you can
find in the link above and used by the EMAF code.
You can write to me for info and support.
Best,
Patrizio
Mayuri Bora <mayu...@tezu.ernet.in> ha scritto:
Dear All,
Can anyone suggest how can i calculate effective mass by using quantum
espresso?
regards
Mayuri
Mayuri Bora
INSPIRE Fellow
Advanced Functional Material Laboratory
Tezpur University
Napaam
http://www.tezu.ernet.in/afml/
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Patrizio Graziosi, PhD
Research Scientist
CNR - ISMN
Institute for the Study of Nanostructured Materials
_______________________________________________
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
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