[Pw_forum] PDOS

[Olga Sedelnikova]

Dear PWscf Users,

I 've used projwfc.x post processing code to find the partial DOS.  The
second collunm of pdos_tot (dos(E)) agrees with the DOS obtained by dos.x PP
, the third collumn (pdos(E)) is the sum of all ldos (from files like
f.pdos_atm_4(C)_wfc_2(p)). I was confused to find discreapency of this
values.
What is the reason of such problem?

I want to separate the contribution of pi and sigma from the DOS of my
structure.
What value of the total DOS should I use for comparison?

Thank you,
O.Sedelnikova
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20091203/31b61a73/attachment.html>