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 <[email protected]> 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
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <[email protected]>
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