[Pw_forum] NSCF stops calculating

[Paolo Giannozzi]

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.