Examples BAND

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Table of Contents
General notes on the Examples
Sample Runs with BAND
Convenient way to specify a basis set
Restart the SCF
NaCl: Bulk Crystal
Cu_slab: 2-dim. Finite temperature and orbital plot
CO absorption on a Cu slab: fragment option and densityplot
Polyacetylene polymer calculation
Relativistic effects: Platinum slab
Pd bulk
Hydrogen on Pt surface
NiCu surface alloy with GGA xc potential
Confinement and tails options for copper dimer
Time-dependent DFT calculations for bulk silicon
Time-dependent DFT calculations for hydrogen chain

 

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