Density Functional Theory(DFT) In this repository, I will discribe DFT computational methods to get electronic, magnetic, optical, and thermelectric properties of solids using DFT codes such as: VASP FPLO WIEN2K QE Phonon calculations in phonopy and Boltztrap and so on........... To use the files, open .md file and follow the commands accordingly. Lines starting with symbol $ are direct commands which you can easily copy and paste on your terminal. But, becareful while running. Make necessary chnages. Lines with symbol ! are suggestions.
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Density Functional Theory(DFT)
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