[Pw_forum] Constrained occupation

[Nicola Marzari]

On 11/6/10 9:05 PM, Paolo Giannozzi wrote:
 >
 > On Nov 6, 2010, at 13:50 , Nicola Marzari wrote:
 >
 >> with Patrick Sit and Matteo Cococcioni we did implement constrained DFT
 >> in the cp code a few years ago - Patrick (cc'd here, now in Princeton)
 >> has a working version of the code (and hopefully it will at a certain
 >> point make it into the public distribution).
 >

Paolo G. tells me it's actually already in the distribution, albeit
with a somewhat sparse documentation (I think you meant "somewhat
sparse", Paolo, correct?)

                 nicola


-- 
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Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM