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[Matthieu Verstraete <mjv500@york.ac.uk>]

Hello Goeffrey,

you should try negative iscf (-2 -3) which actually call on the getden. I 
am not sure that it will use your wfk, but it should. The trouble then is 
that it will probably diagonalize the matrix it finds, instead of feeding 
out the full H_mn. I tried to do this before with different operators for 
H, but you may have to hack it so that it outputs the matrix before calls 
to ZHPEV and so on (not hard, especially for just 1 kpt). This could even 
be a new flag, which sets nstep and iscf, and reads in DEN and WFK...

Tell us how it goes,

Matthieu

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Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14