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--- graphene:electronic_structure [2010/02/27 11:36]
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+++ graphene:electronic_structure [2011/02/18 13:13]
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-====== Band structure plot ======
-In previous section we optimized the lattice parameter of graphene. In this section we show how to generate the band structure at given high-symmetry directions. We follow the same procedure as in the previous case of the Silicon bulk:
-=== Procedure ===
-  - obtain the SCF charges
-  - generate a set of special high symmetry k-points
-  - get eigenvalue spectra with fixed SCF charges & the set of high symmetry k-points
-  - plot eigenvalue vs. k-points
-To plot the band structure we generated a set of the special k-points heading from K(1/√3,1/3) point to Γ(0,0) ending at M(0,2/3) stored in file C1.kgm.kpts.
-{{:graphene:band:bs_a2.46_sp.png|}}
-====== Real space electron denisty ======
-Another way to analyze the electronic structure of material is a plot of electron density in real space. This kind of analysis can be compared, with certain caution, with STM images. To obtain this image we have to proceed following steps:
-  - obtain the SCF charges
-  - plot wavefunction in real-space

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