On Fri, 2014-06-20 at 12:22 +0200, Karim Elgammal wrote: > the calculation go through each k-point, but experiencing some > ScaLAPACK warnings (where I found in this forum that is can be > ignored).
like these?
> ** On entry to DLASCL parameter number 4 had an illegal value
> { 2, 2}: On entry to DSTEQR parameter number -98 had an
> illegal value
I don't think they can be ignored.
Do not use diagonalization='cg' unless you have a good reason.
P.
