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sequential mode, k-parallel mode (without MPI, slow network with common NFS), massively parallel MPI mode (shared memory or Infiniband)
Energy bands and density of states
electron densities and spin densities, x-ray structure factors, potentials, STM and AFM simulations
![wien2k培训班](//l.b2b168.com/2020/06/18/15/202006181534441272554.jpg)
General considerations
In its general form the LAPW method expands the potential in the following form
![wien2k培训班](//l.b2b168.com/2020/06/18/16/202006181652247511714.jpg)
The solutions to the Kohn-Sham equations are expanded in this combined basis set of LAPW's according to the linear variation method
![wien2k培训班](//l.b2b168.com/2020/06/18/15/202006181534436222934.jpg)
Optical properties are obtained using the ``Joint density of states'' modified with the respective dipole matrix elements according to Ambrosch et al. 95, Abt et al. 94, Abt 97. A Kramers-Kronig transformation is also possible.
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