[Wien] K-mesh for surfcae calculation

[Javad Hashemifar]

> this is to inquire the method to generate a proper K-mesh for surface
> calculations. Normally kgen gives a K-mesh automatically during inilization
> suitable for bulk calculation.

Hello
If your slab is thick enough then kgen will generate a two dimensional proper
K-mesh for surface calculation. but if the slab lattice parameter in z
direction is not much larger than other lattice parameters, you can increase it
manually and then run kgen to generate a surface mesh. After generating the
proper k-mesh, the lattice parameter should be decreased to its initial value. 

Best,
Javad Hashemifar



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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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