[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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