[QE-users] Question about Quantum Espresso

[Giuseppe Mattioli]

Dear Pooja Vyas
You should first ask your supervisor. If you have no supervisor, then  
I'm afraid you should start reading a) a solid-state physics book  
(Ashcroft-Mermin may be a good starting point) and b) a DFT book  
(among many, Parr-Yang, Dreizler-Gross, ...). There are a lot of QE  
tutorials, but they require at least a good understanding of the  
underlying physics.
HTH
Giuseppe

Pooja Vyas <poojavyas1251995 at gmail.com> ha scritto:

> Can I get a documentation of the physical meaning (what is the physics
> behind them) of all the parameters used in Quantum Espresso input file such
> as k-points and all. Also can i get documentation on how QE and also DFT
> actually works? actually want to know the physics behind it. what are the
> roles of each parameters of QE input files?



GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
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E-mail: <giuseppe.mattioli at ism.cnr.it>