[Pw_forum] Sumpdos.x

Paolo Giannozzi giannozz at democritos.it
Sat Aug 14 11:52:30 CEST 2010

On Aug 4, 2010, at 20:59 , ramesh kumar wrote:

> Last month there was a question how to integrate PDOS???

that is: f(e)=\int_{e'<e} pdos(e') de' ? just write a 10-line code
that does it: f(e_i) = \sum_{j<=i} pdos(e_j) \Delta e

> Exactly what sumpdos.x does???

please look inside the code (PP/sumpdos.f90): it is very simple.
It just sums the pdos contribution from different atoms.

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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