[Pw_forum] question about projwfc.x

Parwana HABIBI parwana.habibi at cea.fr
Mon Apr 19 15:49:37 CEST 2010


I would like to study the character of a surface state in chromium (is 
it more dz2 or dxy or .. ?), and for that, I've done a projwfc calculation.
It gives me on each kpt, each band and the total weight of all the orbitals.

What I would like to get is the contribution for each orbital separate. 
Is that possible? Or should I change a piece of the code? and if so? how 
do I know the right place?



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