# Day-1 :
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### Topics of QE hands-on session

- SCF + basic post-processing
#####- XCrySDen, PWgui, QE-emacs-modes
- Basic convergence tests (kinetic energy cutoff, k-points, etc.)
- How to equation of state (EOS), DOS and Band-structures.
- How to deal with metals.



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**Exercise 1:** Benzene molecule: basic `pw.x` SCF calculation +
                plotting of molecular orbitals using `pp.x` and
                `xcrysden` codes

    cd example1.benzene/
    
**Exercise 2:** Graphene sheet: basic `pw.x` SCF calculation + 
                density-of-states (DOS) and band structure (spaghetti)
                plots using `dos.x` and `bands.x` codes

    cd example2.graphene/
    
**Exercise 3:** Sillicon bulk: convergence tests, EOS, DOS and, spaghett
i band-structure plots

    cd example3.Si/

**Exercise 4:** A metallic example (Aluminum) -- how to deal with metals

    cd example4.Al/



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**N.B.** For the logic/convention of the names of files used in the hands-on,
see file [README-filenames.md](./README-filenames.md)
