atom: Maximum radius for r*vlocal+2*Zval: 27.49097
KBproj: WARNING: KB projector does not decay to zero
KBproj: WARNING: Rc( 0)= 6.1334
KBproj: WARNING: Cut of radius for the KB projector too big
All this tells that you have the problems with your pseudo generation
(too big radii).
If you post you .fdf, we might be better able to help you.
On 2/5/07, Saswata Bhattacharya [EMAIL PROTECTED] wrote:
dear frnds,
i have got a very peculiar problem..whenever i make a test run with a very
simple .fdf file and the required .psf files it gives lots of warnings as
follows
dear frnds,
i have got a very peculiar problem..whenever i make a test run with a very
simple .fdf file and the required .psf files it gives lots of warnings as
follows
comlocal: WARNING It might be a good idea to increase
comlocal: WARNING parameter ntbmax (in file atmparams.f)
comlocal:
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