[Wien] lm resolved charge densities in interstitial

Gerhard H Fecher fecher at uni-mainz.de
Fri Jul 29 10:54:06 CEST 2005


Dear Wien users:
I am interested to have the lm resolved valence charge density of the complete 
cell.
The scf file reports only the site resolved ones.
fourir.f (called by lapw2) provides with the charge density in the 
interstitial (output to ..clmval.. or similar). It reports the number of 
plane waves and
KZZ(JX,J),JX=1,3),RHOK(J), J=1,NWAVE

Is there an easy possibility to extract to which lm plane waves the rhok 
belong to and thus to find rhok(l,m) ?

For the complete cell (atom 0) only the total DOS is provided, is there a way 
to extract the lm or at least l resolved DOS from some output file ? 

Thanks 
Gerhard


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