[Pw_forum] inhomogenious k-points distribution

Karoly Nemeth nemeth at anl.gov
Thu Apr 23 02:25:59 CEST 2009


I was wondering whether it would be possible to define sub-regions in the 
Brillouin-zone where PWSCF would calculate bands at an increased 
resolution as compared to the rest of the Brillouin zone. This might be 
useful in spectroscopy, when one wants to study direct transitions 
happening at a specific k-points region.


Karoly Nemeth, Ph.D.
Argonne National Laboratory
9700 S. Cass Ave. Argonne, IL 60439.
Advanced Photon Source
X-Ray Science Division
Building 401, Room B4198
Tel. 630-252-5813
Fax: 630-252-3222

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