Umberto De Giovannini
umberto.degiovannini at gmail.com
Tue Apr 24 11:34:38 WEST 2012
as you probably remember from discussion related to some of my recent
commit I am implementing some exotic complex scaled DFT in octopus.
One of the main problem here is that the Hamiltonian turns out to be
In this case the eigensolves already implemented are unsuited and
something more general is needed.
The choice is narrowed down to either biconjugate gradient or Arnoldi schemes.
I was thinking to implement an Arnoldi solver with ARPACK.
ARPACK has been out for a while now (and pretty much without any
update until recently http://forge.scilab.org/index.php/p/arpack-ng/)
but appears to be kind of a standard for what Arnoldi scheme is
However there has been no attempt to use it with octopus.
So here is the question..
Is there a reason why I should not implement it in octopus?
Are there better solutions to my problem?
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