Srihari Sritharan
unread,Jul 8, 2011, 4:27:24 PM7/8/11Sign in to reply to author
Sign in to forward
You do not have permission to delete messages in this group
Either email addresses are anonymous for this group or you need the view member email addresses permission to view the original message
to hermes3d
Hi,
I'm trying to find the 2nd eigenvalue (p orbital) for a Schrodinger
problem I'm solving, and I got it to succeed once and was very happy
with it.
The first eigenvalue is around -0.8 and the next is around -0.7. I
tried to reproduce the results, even by using a high number of
eigenvalues to seek for, but I was unable to do so: all the
eigenvalues would just be slightly altered versions of the -0.8 value,
but never went down to -0.7.
Is there a way to tell the eigensolver to seek further ahead so I can
reliably reproduce the -0.7 eigenvalue I previously found?
Thanks,
Sri